USER MOD reduce.3.24.130724 H: found=0, std=0, add=874, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 867 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 76 CYS SG : rot -150:sc= 1.11 USER MOD Set 1.2: A 79 CYS SG : rot 113:sc= 1.5 USER MOD Set 1.3: A 93 CYS SG : rot 171:sc= 1.29 USER MOD Set 1.4: A 96 CYS SG : rot -42:sc= 1.49 USER MOD Set 1.5: A 98 SER OG : rot 180:sc=-0.00583 USER MOD Set 1.6: A 100 ASN : amide:sc= -0.152 K(o=5.2,f=3.3!) USER MOD Set 2.1: A 39 SER OG : rot -78:sc= 1.03 USER MOD Set 2.2: A 41 MET CE :methyl -155:sc= 0 (180deg=-0.0236) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 16 CYS SG : rot 73:sc= 0.366 USER MOD Single : A 19 HIS : no HD1:sc=-0.00175 X(o=-0.0017,f=-0.19) USER MOD Single : A 21 LYS NZ :NH3+ -165:sc= 2.4 (180deg=2.11) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= 0.691 K(o=0.69,f=-0.49) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 87:sc= 1.26 USER MOD Single : A 57 SER OG : rot 170:sc= 0 USER MOD Single : A 60 CYS SG : rot 170:sc= -0.19 USER MOD Single : A 61 LYS NZ :NH3+ -120:sc= 0 (180deg=-0.0334) USER MOD Single : A 71 LYS NZ :NH3+ 152:sc= 1.24 (180deg=0.826) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 HIS : no HE2:sc= -0.384 X(o=-0.38,f=-0.54) USER MOD Single : A 84 LYS NZ :NH3+ 153:sc= 0 (180deg=-0.648) USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 THR OG1 : rot -36:sc= 0.104 USER MOD Single : A 105 GLN : amide:sc= 0.78 K(o=0.78,f=-0.057) USER MOD Single : A 107 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 109 MET CE :methyl -164:sc= -1.26 (180deg=-1.85) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 MET CE :methyl -170:sc= -0.015 (180deg=-0.0534) USER MOD ----------------------------------------------------------------- ATOM 38 N HIS A 4 -15.597 8.966 -2.923 1.00 0.00 N ATOM 39 CA HIS A 4 -14.623 8.108 -2.232 1.00 0.00 C ATOM 40 C HIS A 4 -13.360 7.837 -3.078 1.00 0.00 C ATOM 41 O HIS A 4 -12.249 7.809 -2.549 1.00 0.00 O ATOM 42 CB HIS A 4 -15.314 6.803 -1.815 1.00 0.00 C ATOM 43 CG HIS A 4 -14.436 5.907 -0.975 1.00 0.00 C ATOM 44 ND1 HIS A 4 -14.124 6.094 0.355 1.00 0.00 N ATOM 45 CD2 HIS A 4 -13.794 4.774 -1.399 1.00 0.00 C ATOM 46 CE1 HIS A 4 -13.307 5.093 0.730 1.00 0.00 C ATOM 47 NE2 HIS A 4 -13.081 4.264 -0.306 1.00 0.00 N ATOM 0 HA HIS A 4 -14.272 8.635 -1.344 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -16.219 7.041 -1.256 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -15.624 6.262 -2.709 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -13.831 4.352 -2.392 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -12.892 4.972 1.720 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -12.501 3.425 -0.297 1.00 0.00 H new ATOM 55 N GLU A 5 -13.508 7.733 -4.403 1.00 0.00 N ATOM 56 CA GLU A 5 -12.403 7.600 -5.370 1.00 0.00 C ATOM 57 C GLU A 5 -11.397 8.772 -5.359 1.00 0.00 C ATOM 58 O GLU A 5 -10.246 8.596 -5.762 1.00 0.00 O ATOM 59 CB GLU A 5 -12.978 7.380 -6.781 1.00 0.00 C ATOM 60 CG GLU A 5 -13.717 8.600 -7.357 1.00 0.00 C ATOM 61 CD GLU A 5 -14.418 8.243 -8.682 1.00 0.00 C ATOM 62 OE1 GLU A 5 -13.735 8.111 -9.727 1.00 0.00 O ATOM 63 OE2 GLU A 5 -15.664 8.082 -8.687 1.00 0.00 O ATOM 0 H GLU A 5 -14.425 7.739 -4.849 1.00 0.00 H new ATOM 0 HA GLU A 5 -11.823 6.732 -5.058 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -12.165 7.110 -7.455 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -13.664 6.533 -6.754 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -14.453 8.958 -6.637 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -13.011 9.413 -7.522 1.00 0.00 H new ATOM 70 N TYR A 6 -11.799 9.945 -4.854 1.00 0.00 N ATOM 71 CA TYR A 6 -10.949 11.130 -4.684 1.00 0.00 C ATOM 72 C TYR A 6 -10.539 11.388 -3.222 1.00 0.00 C ATOM 73 O TYR A 6 -9.744 12.293 -2.967 1.00 0.00 O ATOM 74 CB TYR A 6 -11.639 12.361 -5.296 1.00 0.00 C ATOM 75 CG TYR A 6 -11.947 12.273 -6.785 1.00 0.00 C ATOM 76 CD1 TYR A 6 -10.964 11.825 -7.693 1.00 0.00 C ATOM 77 CD2 TYR A 6 -13.200 12.700 -7.271 1.00 0.00 C ATOM 78 CE1 TYR A 6 -11.233 11.796 -9.074 1.00 0.00 C ATOM 79 CE2 TYR A 6 -13.475 12.668 -8.651 1.00 0.00 C ATOM 80 CZ TYR A 6 -12.491 12.215 -9.559 1.00 0.00 C ATOM 81 OH TYR A 6 -12.740 12.200 -10.898 1.00 0.00 O ATOM 0 H TYR A 6 -12.758 10.100 -4.542 1.00 0.00 H new ATOM 0 HA TYR A 6 -10.018 10.934 -5.216 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -12.572 12.535 -4.760 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -11.006 13.232 -5.125 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -10.001 11.503 -7.326 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -13.952 13.053 -6.581 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -10.476 11.453 -9.764 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -14.439 12.990 -9.017 1.00 0.00 H new ATOM 0 HH TYR A 6 -13.652 12.517 -11.065 1.00 0.00 H new ATOM 91 N SER A 7 -11.016 10.585 -2.263 1.00 0.00 N ATOM 92 CA SER A 7 -10.611 10.662 -0.851 1.00 0.00 C ATOM 93 C SER A 7 -9.111 10.382 -0.692 1.00 0.00 C ATOM 94 O SER A 7 -8.376 11.216 -0.163 1.00 0.00 O ATOM 95 CB SER A 7 -11.458 9.699 -0.005 1.00 0.00 C ATOM 96 OG SER A 7 -11.254 9.920 1.382 1.00 0.00 O ATOM 0 H SER A 7 -11.703 9.854 -2.447 1.00 0.00 H new ATOM 0 HA SER A 7 -10.789 11.676 -0.491 1.00 0.00 H new ATOM 0 HB2 SER A 7 -12.513 9.831 -0.246 1.00 0.00 H new ATOM 0 HB3 SER A 7 -11.201 8.669 -0.254 1.00 0.00 H new ATOM 0 HG SER A 7 -11.806 9.295 1.897 1.00 0.00 H new ATOM 102 N VAL A 8 -8.634 9.240 -1.211 1.00 0.00 N ATOM 103 CA VAL A 8 -7.210 8.847 -1.205 1.00 0.00 C ATOM 104 C VAL A 8 -6.311 9.886 -1.893 1.00 0.00 C ATOM 105 O VAL A 8 -5.260 10.257 -1.369 1.00 0.00 O ATOM 106 CB VAL A 8 -7.032 7.430 -1.792 1.00 0.00 C ATOM 107 CG1 VAL A 8 -7.345 7.311 -3.286 1.00 0.00 C ATOM 108 CG2 VAL A 8 -5.634 6.886 -1.506 1.00 0.00 C ATOM 0 H VAL A 8 -9.237 8.548 -1.656 1.00 0.00 H new ATOM 0 HA VAL A 8 -6.881 8.816 -0.166 1.00 0.00 H new ATOM 0 HB VAL A 8 -7.779 6.823 -1.280 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -7.192 6.281 -3.609 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -8.382 7.597 -3.465 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -6.685 7.970 -3.850 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -5.538 5.887 -1.931 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -4.889 7.544 -1.954 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -5.475 6.838 -0.429 1.00 0.00 H new ATOM 118 N VAL A 9 -6.764 10.397 -3.040 1.00 0.00 N ATOM 119 CA VAL A 9 -6.132 11.424 -3.876 1.00 0.00 C ATOM 120 C VAL A 9 -5.943 12.733 -3.104 1.00 0.00 C ATOM 121 O VAL A 9 -4.811 13.122 -2.816 1.00 0.00 O ATOM 122 CB VAL A 9 -7.005 11.625 -5.127 1.00 0.00 C ATOM 123 CG1 VAL A 9 -6.501 12.744 -6.031 1.00 0.00 C ATOM 124 CG2 VAL A 9 -7.085 10.339 -5.958 1.00 0.00 C ATOM 0 H VAL A 9 -7.648 10.081 -3.440 1.00 0.00 H new ATOM 0 HA VAL A 9 -5.135 11.099 -4.173 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.991 11.899 -4.752 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -7.158 12.837 -6.896 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.494 13.683 -5.478 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -5.490 12.513 -6.367 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -7.708 10.511 -6.835 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -6.084 10.048 -6.276 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.520 9.542 -5.355 1.00 0.00 H new ATOM 134 N SER A 10 -7.047 13.393 -2.738 1.00 0.00 N ATOM 135 CA SER A 10 -7.070 14.627 -1.942 1.00 0.00 C ATOM 136 C SER A 10 -6.229 14.507 -0.664 1.00 0.00 C ATOM 137 O SER A 10 -5.421 15.391 -0.367 1.00 0.00 O ATOM 138 CB SER A 10 -8.525 14.975 -1.602 1.00 0.00 C ATOM 139 OG SER A 10 -8.601 16.204 -0.899 1.00 0.00 O ATOM 0 H SER A 10 -7.981 13.073 -2.996 1.00 0.00 H new ATOM 0 HA SER A 10 -6.625 15.427 -2.534 1.00 0.00 H new ATOM 0 HB2 SER A 10 -9.111 15.039 -2.519 1.00 0.00 H new ATOM 0 HB3 SER A 10 -8.962 14.179 -0.999 1.00 0.00 H new ATOM 0 HG SER A 10 -9.538 16.406 -0.694 1.00 0.00 H new ATOM 145 N SER A 11 -6.354 13.382 0.053 1.00 0.00 N ATOM 146 CA SER A 11 -5.585 13.086 1.271 1.00 0.00 C ATOM 147 C SER A 11 -4.072 13.138 1.026 1.00 0.00 C ATOM 148 O SER A 11 -3.371 13.924 1.664 1.00 0.00 O ATOM 149 CB SER A 11 -6.002 11.730 1.851 1.00 0.00 C ATOM 150 OG SER A 11 -5.309 11.473 3.062 1.00 0.00 O ATOM 0 H SER A 11 -7.004 12.638 -0.201 1.00 0.00 H new ATOM 0 HA SER A 11 -5.814 13.863 2.000 1.00 0.00 H new ATOM 0 HB2 SER A 11 -7.077 11.720 2.031 1.00 0.00 H new ATOM 0 HB3 SER A 11 -5.792 10.940 1.130 1.00 0.00 H new ATOM 0 HG SER A 11 -5.588 10.604 3.420 1.00 0.00 H new ATOM 156 N LEU A 12 -3.555 12.352 0.074 1.00 0.00 N ATOM 157 CA LEU A 12 -2.123 12.302 -0.248 1.00 0.00 C ATOM 158 C LEU A 12 -1.546 13.665 -0.645 1.00 0.00 C ATOM 159 O LEU A 12 -0.503 14.067 -0.135 1.00 0.00 O ATOM 160 CB LEU A 12 -1.883 11.264 -1.359 1.00 0.00 C ATOM 161 CG LEU A 12 -1.625 9.861 -0.792 1.00 0.00 C ATOM 162 CD1 LEU A 12 -1.716 8.829 -1.910 1.00 0.00 C ATOM 163 CD2 LEU A 12 -0.223 9.772 -0.185 1.00 0.00 C ATOM 0 H LEU A 12 -4.123 11.728 -0.499 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.596 12.005 0.659 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.749 11.234 -2.020 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.031 11.572 -1.965 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.374 9.667 -0.024 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.532 7.835 -1.503 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.711 8.861 -2.355 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.970 9.052 -2.673 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.061 8.769 0.211 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.520 9.983 -0.954 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.128 10.500 0.621 1.00 0.00 H new ATOM 175 N ILE A 13 -2.222 14.382 -1.542 1.00 0.00 N ATOM 176 CA ILE A 13 -1.790 15.705 -2.022 1.00 0.00 C ATOM 177 C ILE A 13 -1.760 16.731 -0.871 1.00 0.00 C ATOM 178 O ILE A 13 -0.795 17.486 -0.741 1.00 0.00 O ATOM 179 CB ILE A 13 -2.661 16.166 -3.213 1.00 0.00 C ATOM 180 CG1 ILE A 13 -2.693 15.115 -4.354 1.00 0.00 C ATOM 181 CG2 ILE A 13 -2.148 17.498 -3.786 1.00 0.00 C ATOM 182 CD1 ILE A 13 -3.878 15.306 -5.293 1.00 0.00 C ATOM 0 H ILE A 13 -3.094 14.062 -1.963 1.00 0.00 H new ATOM 0 HA ILE A 13 -0.767 15.626 -2.391 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.671 16.292 -2.824 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -1.767 15.177 -4.926 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -2.734 14.115 -3.921 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -2.778 17.801 -4.623 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -2.181 18.264 -3.011 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.121 17.374 -4.131 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -3.851 14.544 -6.072 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -4.807 15.216 -4.730 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -3.825 16.294 -5.750 1.00 0.00 H new ATOM 194 N ALA A 14 -2.762 16.724 0.015 1.00 0.00 N ATOM 195 CA ALA A 14 -2.763 17.543 1.229 1.00 0.00 C ATOM 196 C ALA A 14 -1.596 17.196 2.177 1.00 0.00 C ATOM 197 O ALA A 14 -0.931 18.096 2.691 1.00 0.00 O ATOM 198 CB ALA A 14 -4.119 17.393 1.925 1.00 0.00 C ATOM 0 H ALA A 14 -3.597 16.148 -0.091 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.611 18.585 0.946 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.132 17.999 2.831 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -4.911 17.726 1.254 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -4.281 16.347 2.186 1.00 0.00 H new ATOM 204 N LEU A 15 -1.309 15.904 2.380 1.00 0.00 N ATOM 205 CA LEU A 15 -0.158 15.416 3.150 1.00 0.00 C ATOM 206 C LEU A 15 1.182 15.897 2.569 1.00 0.00 C ATOM 207 O LEU A 15 2.011 16.406 3.319 1.00 0.00 O ATOM 208 CB LEU A 15 -0.212 13.877 3.251 1.00 0.00 C ATOM 209 CG LEU A 15 -0.790 13.304 4.557 1.00 0.00 C ATOM 210 CD1 LEU A 15 0.135 13.547 5.751 1.00 0.00 C ATOM 211 CD2 LEU A 15 -2.180 13.834 4.920 1.00 0.00 C ATOM 0 H LEU A 15 -1.885 15.151 2.004 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.221 15.838 4.153 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.805 13.499 2.418 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.799 13.489 3.124 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.878 12.237 4.352 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.314 13.126 6.651 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.098 13.070 5.568 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.281 14.619 5.886 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.511 13.378 5.853 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.137 14.917 5.040 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.883 13.585 4.125 1.00 0.00 H new ATOM 223 N CYS A 16 1.390 15.791 1.252 1.00 0.00 N ATOM 224 CA CYS A 16 2.553 16.365 0.556 1.00 0.00 C ATOM 225 C CYS A 16 2.759 17.853 0.900 1.00 0.00 C ATOM 226 O CYS A 16 3.847 18.253 1.319 1.00 0.00 O ATOM 227 CB CYS A 16 2.405 16.199 -0.966 1.00 0.00 C ATOM 228 SG CYS A 16 2.519 14.460 -1.474 1.00 0.00 S ATOM 0 H CYS A 16 0.749 15.299 0.630 1.00 0.00 H new ATOM 0 HA CYS A 16 3.432 15.819 0.899 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.446 16.607 -1.284 1.00 0.00 H new ATOM 0 HB3 CYS A 16 3.180 16.776 -1.471 1.00 0.00 H new ATOM 0 HG CYS A 16 1.437 13.832 -1.119 1.00 0.00 H new ATOM 234 N GLU A 17 1.716 18.672 0.738 1.00 0.00 N ATOM 235 CA GLU A 17 1.734 20.108 1.045 1.00 0.00 C ATOM 236 C GLU A 17 2.063 20.384 2.527 1.00 0.00 C ATOM 237 O GLU A 17 2.916 21.219 2.837 1.00 0.00 O ATOM 238 CB GLU A 17 0.387 20.712 0.604 1.00 0.00 C ATOM 239 CG GLU A 17 0.390 22.234 0.394 1.00 0.00 C ATOM 240 CD GLU A 17 0.288 23.066 1.682 1.00 0.00 C ATOM 241 OE1 GLU A 17 -0.603 22.800 2.524 1.00 0.00 O ATOM 242 OE2 GLU A 17 1.061 24.041 1.829 1.00 0.00 O ATOM 0 H GLU A 17 0.816 18.350 0.382 1.00 0.00 H new ATOM 0 HA GLU A 17 2.537 20.593 0.490 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.080 20.234 -0.326 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.366 20.466 1.353 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.305 22.512 -0.129 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.443 22.498 -0.258 1.00 0.00 H new ATOM 249 N GLU A 18 1.438 19.644 3.446 1.00 0.00 N ATOM 250 CA GLU A 18 1.654 19.741 4.895 1.00 0.00 C ATOM 251 C GLU A 18 3.058 19.299 5.344 1.00 0.00 C ATOM 252 O GLU A 18 3.632 19.914 6.241 1.00 0.00 O ATOM 253 CB GLU A 18 0.553 18.941 5.615 1.00 0.00 C ATOM 254 CG GLU A 18 0.495 19.155 7.137 1.00 0.00 C ATOM 255 CD GLU A 18 0.180 20.605 7.567 1.00 0.00 C ATOM 256 OE1 GLU A 18 -0.397 21.387 6.771 1.00 0.00 O ATOM 257 OE2 GLU A 18 0.496 20.970 8.725 1.00 0.00 O ATOM 0 H GLU A 18 0.745 18.938 3.196 1.00 0.00 H new ATOM 0 HA GLU A 18 1.594 20.794 5.169 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.412 19.211 5.187 1.00 0.00 H new ATOM 0 HB3 GLU A 18 0.705 17.880 5.416 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.262 18.492 7.556 1.00 0.00 H new ATOM 0 HG3 GLU A 18 1.451 18.860 7.570 1.00 0.00 H new ATOM 264 N HIS A 19 3.657 18.287 4.711 1.00 0.00 N ATOM 265 CA HIS A 19 5.062 17.934 4.935 1.00 0.00 C ATOM 266 C HIS A 19 6.018 19.009 4.397 1.00 0.00 C ATOM 267 O HIS A 19 6.979 19.368 5.079 1.00 0.00 O ATOM 268 CB HIS A 19 5.388 16.583 4.286 1.00 0.00 C ATOM 269 CG HIS A 19 4.767 15.383 4.958 1.00 0.00 C ATOM 270 ND1 HIS A 19 4.875 15.051 6.293 1.00 0.00 N ATOM 271 CD2 HIS A 19 4.100 14.364 4.332 1.00 0.00 C ATOM 272 CE1 HIS A 19 4.276 13.861 6.471 1.00 0.00 C ATOM 273 NE2 HIS A 19 3.796 13.401 5.302 1.00 0.00 N ATOM 0 H HIS A 19 3.184 17.691 4.031 1.00 0.00 H new ATOM 0 HA HIS A 19 5.206 17.864 6.013 1.00 0.00 H new ATOM 0 HB2 HIS A 19 5.060 16.608 3.247 1.00 0.00 H new ATOM 0 HB3 HIS A 19 6.470 16.454 4.276 1.00 0.00 H new ATOM 0 HD2 HIS A 19 3.853 14.312 3.282 1.00 0.00 H new ATOM 0 HE1 HIS A 19 4.192 13.348 7.417 1.00 0.00 H new ATOM 0 HE2 HIS A 19 3.305 12.520 5.151 1.00 0.00 H new ATOM 281 N ALA A 20 5.783 19.538 3.189 1.00 0.00 N ATOM 282 CA ALA A 20 6.730 20.448 2.538 1.00 0.00 C ATOM 283 C ALA A 20 6.896 21.784 3.276 1.00 0.00 C ATOM 284 O ALA A 20 8.015 22.291 3.357 1.00 0.00 O ATOM 285 CB ALA A 20 6.332 20.680 1.080 1.00 0.00 C ATOM 0 H ALA A 20 4.942 19.350 2.643 1.00 0.00 H new ATOM 0 HA ALA A 20 7.703 19.959 2.573 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.046 21.358 0.612 1.00 0.00 H new ATOM 0 HB2 ALA A 20 6.331 19.729 0.547 1.00 0.00 H new ATOM 0 HB3 ALA A 20 5.335 21.119 1.040 1.00 0.00 H new ATOM 291 N LYS A 21 5.823 22.339 3.856 1.00 0.00 N ATOM 292 CA LYS A 21 5.905 23.517 4.744 1.00 0.00 C ATOM 293 C LYS A 21 6.631 23.218 6.065 1.00 0.00 C ATOM 294 O LYS A 21 7.343 24.078 6.580 1.00 0.00 O ATOM 295 CB LYS A 21 4.502 24.104 5.003 1.00 0.00 C ATOM 296 CG LYS A 21 3.618 23.185 5.863 1.00 0.00 C ATOM 297 CD LYS A 21 2.214 23.728 6.142 1.00 0.00 C ATOM 298 CE LYS A 21 1.390 23.694 4.855 1.00 0.00 C ATOM 299 NZ LYS A 21 -0.063 23.599 5.115 1.00 0.00 N ATOM 0 H LYS A 21 4.874 21.988 3.726 1.00 0.00 H new ATOM 0 HA LYS A 21 6.506 24.263 4.224 1.00 0.00 H new ATOM 0 HB2 LYS A 21 4.603 25.070 5.498 1.00 0.00 H new ATOM 0 HB3 LYS A 21 4.008 24.286 4.049 1.00 0.00 H new ATOM 0 HG2 LYS A 21 3.527 22.220 5.364 1.00 0.00 H new ATOM 0 HG3 LYS A 21 4.120 23.007 6.814 1.00 0.00 H new ATOM 0 HD2 LYS A 21 1.728 23.131 6.914 1.00 0.00 H new ATOM 0 HD3 LYS A 21 2.276 24.748 6.520 1.00 0.00 H new ATOM 0 HE2 LYS A 21 1.594 24.593 4.273 1.00 0.00 H new ATOM 0 HE3 LYS A 21 1.704 22.844 4.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.555 23.326 4.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -0.238 22.883 5.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.419 24.521 5.439 1.00 0.00 H new ATOM 313 N LYS A 22 6.469 22.003 6.608 1.00 0.00 N ATOM 314 CA LYS A 22 6.965 21.602 7.941 1.00 0.00 C ATOM 315 C LYS A 22 8.464 21.300 7.906 1.00 0.00 C ATOM 316 O LYS A 22 9.211 21.718 8.789 1.00 0.00 O ATOM 317 CB LYS A 22 6.145 20.394 8.438 1.00 0.00 C ATOM 318 CG LYS A 22 6.288 20.092 9.938 1.00 0.00 C ATOM 319 CD LYS A 22 5.583 21.142 10.815 1.00 0.00 C ATOM 320 CE LYS A 22 5.606 20.711 12.287 1.00 0.00 C ATOM 321 NZ LYS A 22 4.864 21.670 13.148 1.00 0.00 N ATOM 0 H LYS A 22 5.978 21.251 6.124 1.00 0.00 H new ATOM 0 HA LYS A 22 6.834 22.427 8.642 1.00 0.00 H new ATOM 0 HB2 LYS A 22 5.093 20.571 8.216 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.446 19.511 7.874 1.00 0.00 H new ATOM 0 HG2 LYS A 22 5.872 19.107 10.149 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.345 20.054 10.200 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.076 22.108 10.704 1.00 0.00 H new ATOM 0 HD3 LYS A 22 4.553 21.270 10.483 1.00 0.00 H new ATOM 0 HE2 LYS A 22 5.166 19.718 12.383 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.638 20.637 12.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 4.900 21.348 14.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 5.300 22.611 13.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 3.873 21.722 12.836 1.00 0.00 H new ATOM 335 N ASN A 23 8.905 20.647 6.830 1.00 0.00 N ATOM 336 CA ASN A 23 10.313 20.455 6.476 1.00 0.00 C ATOM 337 C ASN A 23 10.949 21.707 5.831 1.00 0.00 C ATOM 338 O ASN A 23 12.147 21.718 5.548 1.00 0.00 O ATOM 339 CB ASN A 23 10.399 19.221 5.555 1.00 0.00 C ATOM 340 CG ASN A 23 11.813 18.671 5.410 1.00 0.00 C ATOM 341 OD1 ASN A 23 12.609 18.654 6.341 1.00 0.00 O ATOM 342 ND2 ASN A 23 12.170 18.173 4.247 1.00 0.00 N ATOM 0 H ASN A 23 8.268 20.221 6.156 1.00 0.00 H new ATOM 0 HA ASN A 23 10.893 20.289 7.384 1.00 0.00 H new ATOM 0 HB2 ASN A 23 9.751 18.438 5.948 1.00 0.00 H new ATOM 0 HB3 ASN A 23 10.017 19.486 4.569 1.00 0.00 H new ATOM 0 HD21 ASN A 23 13.102 17.777 4.126 1.00 0.00 H new ATOM 0 HD22 ASN A 23 11.515 18.182 3.465 1.00 0.00 H new ATOM 349 N GLN A 24 10.155 22.764 5.602 1.00 0.00 N ATOM 350 CA GLN A 24 10.538 24.034 4.966 1.00 0.00 C ATOM 351 C GLN A 24 11.164 23.829 3.568 1.00 0.00 C ATOM 352 O GLN A 24 12.017 24.598 3.118 1.00 0.00 O ATOM 353 CB GLN A 24 11.403 24.867 5.936 1.00 0.00 C ATOM 354 CG GLN A 24 10.667 25.210 7.244 1.00 0.00 C ATOM 355 CD GLN A 24 11.639 25.671 8.326 1.00 0.00 C ATOM 356 OE1 GLN A 24 11.986 26.839 8.441 1.00 0.00 O ATOM 357 NE2 GLN A 24 12.121 24.767 9.156 1.00 0.00 N ATOM 0 H GLN A 24 9.171 22.755 5.871 1.00 0.00 H new ATOM 0 HA GLN A 24 9.638 24.616 4.767 1.00 0.00 H new ATOM 0 HB2 GLN A 24 12.313 24.315 6.170 1.00 0.00 H new ATOM 0 HB3 GLN A 24 11.708 25.790 5.443 1.00 0.00 H new ATOM 0 HG2 GLN A 24 9.932 25.993 7.055 1.00 0.00 H new ATOM 0 HG3 GLN A 24 10.118 24.336 7.594 1.00 0.00 H new ATOM 0 HE21 GLN A 24 11.838 23.791 9.068 1.00 0.00 H new ATOM 0 HE22 GLN A 24 12.777 25.044 9.886 1.00 0.00 H new ATOM 366 N ALA A 25 10.750 22.756 2.886 1.00 0.00 N ATOM 367 CA ALA A 25 11.214 22.349 1.566 1.00 0.00 C ATOM 368 C ALA A 25 10.493 23.114 0.444 1.00 0.00 C ATOM 369 O ALA A 25 11.100 23.446 -0.574 1.00 0.00 O ATOM 370 CB ALA A 25 10.955 20.841 1.450 1.00 0.00 C ATOM 0 H ALA A 25 10.047 22.120 3.263 1.00 0.00 H new ATOM 0 HA ALA A 25 12.274 22.577 1.455 1.00 0.00 H new ATOM 0 HB1 ALA A 25 11.288 20.489 0.474 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.504 20.316 2.232 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.889 20.645 1.562 1.00 0.00 H new ATOM 376 N HIS A 26 9.192 23.382 0.633 1.00 0.00 N ATOM 377 CA HIS A 26 8.274 24.028 -0.320 1.00 0.00 C ATOM 378 C HIS A 26 8.282 23.427 -1.748 1.00 0.00 C ATOM 379 O HIS A 26 7.884 24.082 -2.714 1.00 0.00 O ATOM 380 CB HIS A 26 8.471 25.553 -0.268 1.00 0.00 C ATOM 381 CG HIS A 26 8.320 26.111 1.127 1.00 0.00 C ATOM 382 ND1 HIS A 26 7.130 26.326 1.791 1.00 0.00 N ATOM 383 CD2 HIS A 26 9.338 26.439 1.982 1.00 0.00 C ATOM 384 CE1 HIS A 26 7.424 26.779 3.024 1.00 0.00 C ATOM 385 NE2 HIS A 26 8.757 26.859 3.186 1.00 0.00 N ATOM 0 H HIS A 26 8.724 23.140 1.506 1.00 0.00 H new ATOM 0 HA HIS A 26 7.257 23.807 0.004 1.00 0.00 H new ATOM 0 HB2 HIS A 26 9.462 25.801 -0.649 1.00 0.00 H new ATOM 0 HB3 HIS A 26 7.747 26.032 -0.927 1.00 0.00 H new ATOM 0 HD2 HIS A 26 10.395 26.384 1.768 1.00 0.00 H new ATOM 0 HE1 HIS A 26 6.694 27.041 3.776 1.00 0.00 H new ATOM 0 HE2 HIS A 26 9.250 27.166 4.024 1.00 0.00 H new ATOM 393 N LYS A 27 8.713 22.164 -1.880 1.00 0.00 N ATOM 394 CA LYS A 27 8.685 21.315 -3.082 1.00 0.00 C ATOM 395 C LYS A 27 8.541 19.839 -2.697 1.00 0.00 C ATOM 396 O LYS A 27 8.736 19.465 -1.539 1.00 0.00 O ATOM 397 CB LYS A 27 9.988 21.482 -3.893 1.00 0.00 C ATOM 398 CG LYS A 27 10.195 22.874 -4.504 1.00 0.00 C ATOM 399 CD LYS A 27 11.353 22.826 -5.506 1.00 0.00 C ATOM 400 CE LYS A 27 11.638 24.217 -6.080 1.00 0.00 C ATOM 401 NZ LYS A 27 12.740 24.169 -7.074 1.00 0.00 N ATOM 0 H LYS A 27 9.123 21.670 -1.087 1.00 0.00 H new ATOM 0 HA LYS A 27 7.831 21.624 -3.685 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.834 21.257 -3.244 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.996 20.744 -4.695 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.283 23.203 -5.002 1.00 0.00 H new ATOM 0 HG3 LYS A 27 10.409 23.599 -3.719 1.00 0.00 H new ATOM 0 HD2 LYS A 27 12.247 22.440 -5.016 1.00 0.00 H new ATOM 0 HD3 LYS A 27 11.111 22.137 -6.315 1.00 0.00 H new ATOM 0 HE2 LYS A 27 10.737 24.612 -6.550 1.00 0.00 H new ATOM 0 HE3 LYS A 27 11.902 24.900 -5.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 12.913 25.124 -7.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 13.604 23.814 -6.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 12.476 23.535 -7.855 1.00 0.00 H new ATOM 415 N ILE A 28 8.296 19.003 -3.700 1.00 0.00 N ATOM 416 CA ILE A 28 8.419 17.537 -3.696 1.00 0.00 C ATOM 417 C ILE A 28 9.465 17.136 -4.770 1.00 0.00 C ATOM 418 O ILE A 28 9.951 17.974 -5.530 1.00 0.00 O ATOM 419 CB ILE A 28 7.004 16.922 -3.901 1.00 0.00 C ATOM 420 CG1 ILE A 28 5.983 17.366 -2.821 1.00 0.00 C ATOM 421 CG2 ILE A 28 6.981 15.382 -3.979 1.00 0.00 C ATOM 422 CD1 ILE A 28 6.277 16.890 -1.390 1.00 0.00 C ATOM 0 H ILE A 28 7.983 19.351 -4.606 1.00 0.00 H new ATOM 0 HA ILE A 28 8.785 17.143 -2.748 1.00 0.00 H new ATOM 0 HB ILE A 28 6.709 17.318 -4.873 1.00 0.00 H new ATOM 0 HG12 ILE A 28 5.934 18.455 -2.819 1.00 0.00 H new ATOM 0 HG13 ILE A 28 4.996 17.003 -3.109 1.00 0.00 H new ATOM 0 HG21 ILE A 28 5.956 15.040 -4.122 1.00 0.00 H new ATOM 0 HG22 ILE A 28 7.594 15.051 -4.817 1.00 0.00 H new ATOM 0 HG23 ILE A 28 7.376 14.965 -3.053 1.00 0.00 H new ATOM 0 HD11 ILE A 28 5.501 17.257 -0.718 1.00 0.00 H new ATOM 0 HD12 ILE A 28 6.293 15.800 -1.365 1.00 0.00 H new ATOM 0 HD13 ILE A 28 7.246 17.274 -1.070 1.00 0.00 H new ATOM 434 N GLU A 29 9.857 15.866 -4.818 1.00 0.00 N ATOM 435 CA GLU A 29 10.588 15.232 -5.927 1.00 0.00 C ATOM 436 C GLU A 29 9.838 13.986 -6.423 1.00 0.00 C ATOM 437 O GLU A 29 9.560 13.852 -7.617 1.00 0.00 O ATOM 438 CB GLU A 29 12.021 14.885 -5.483 1.00 0.00 C ATOM 439 CG GLU A 29 12.867 14.316 -6.629 1.00 0.00 C ATOM 440 CD GLU A 29 14.299 13.982 -6.165 1.00 0.00 C ATOM 441 OE1 GLU A 29 14.505 12.900 -5.564 1.00 0.00 O ATOM 442 OE2 GLU A 29 15.230 14.782 -6.426 1.00 0.00 O ATOM 0 H GLU A 29 9.669 15.216 -4.055 1.00 0.00 H new ATOM 0 HA GLU A 29 10.651 15.933 -6.759 1.00 0.00 H new ATOM 0 HB2 GLU A 29 12.503 15.780 -5.089 1.00 0.00 H new ATOM 0 HB3 GLU A 29 11.981 14.160 -4.670 1.00 0.00 H new ATOM 0 HG2 GLU A 29 12.392 13.417 -7.021 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.907 15.037 -7.445 1.00 0.00 H new ATOM 449 N ARG A 30 9.482 13.083 -5.499 1.00 0.00 N ATOM 450 CA ARG A 30 8.775 11.822 -5.770 1.00 0.00 C ATOM 451 C ARG A 30 7.806 11.489 -4.635 1.00 0.00 C ATOM 452 O ARG A 30 8.036 11.865 -3.487 1.00 0.00 O ATOM 453 CB ARG A 30 9.824 10.695 -5.926 1.00 0.00 C ATOM 454 CG ARG A 30 9.432 9.565 -6.892 1.00 0.00 C ATOM 455 CD ARG A 30 9.524 10.020 -8.354 1.00 0.00 C ATOM 456 NE ARG A 30 9.384 8.889 -9.293 1.00 0.00 N ATOM 457 CZ ARG A 30 9.700 8.870 -10.576 1.00 0.00 C ATOM 458 NH1 ARG A 30 10.153 9.924 -11.196 1.00 0.00 N ATOM 459 NH2 ARG A 30 9.567 7.778 -11.265 1.00 0.00 N ATOM 0 H ARG A 30 9.685 13.214 -4.508 1.00 0.00 H new ATOM 0 HA ARG A 30 8.193 11.920 -6.686 1.00 0.00 H new ATOM 0 HB2 ARG A 30 10.760 11.136 -6.269 1.00 0.00 H new ATOM 0 HB3 ARG A 30 10.017 10.262 -4.945 1.00 0.00 H new ATOM 0 HG2 ARG A 30 10.086 8.707 -6.735 1.00 0.00 H new ATOM 0 HG3 ARG A 30 8.416 9.235 -6.675 1.00 0.00 H new ATOM 0 HD2 ARG A 30 8.746 10.757 -8.554 1.00 0.00 H new ATOM 0 HD3 ARG A 30 10.481 10.514 -8.521 1.00 0.00 H new ATOM 0 HE ARG A 30 9.000 8.026 -8.908 1.00 0.00 H new ATOM 0 HH11 ARG A 30 10.274 10.801 -10.689 1.00 0.00 H new ATOM 0 HH12 ARG A 30 10.387 9.871 -12.188 1.00 0.00 H new ATOM 0 HH21 ARG A 30 9.218 6.931 -10.816 1.00 0.00 H new ATOM 0 HH22 ARG A 30 9.812 7.767 -12.255 1.00 0.00 H new ATOM 473 N VAL A 31 6.793 10.685 -4.929 1.00 0.00 N ATOM 474 CA VAL A 31 6.061 9.877 -3.943 1.00 0.00 C ATOM 475 C VAL A 31 6.055 8.417 -4.395 1.00 0.00 C ATOM 476 O VAL A 31 6.053 8.131 -5.594 1.00 0.00 O ATOM 477 CB VAL A 31 4.643 10.418 -3.665 1.00 0.00 C ATOM 478 CG1 VAL A 31 4.656 11.914 -3.323 1.00 0.00 C ATOM 479 CG2 VAL A 31 3.666 10.224 -4.823 1.00 0.00 C ATOM 0 H VAL A 31 6.444 10.569 -5.880 1.00 0.00 H new ATOM 0 HA VAL A 31 6.578 9.944 -2.986 1.00 0.00 H new ATOM 0 HB VAL A 31 4.301 9.827 -2.815 1.00 0.00 H new ATOM 0 HG11 VAL A 31 3.637 12.253 -3.135 1.00 0.00 H new ATOM 0 HG12 VAL A 31 5.264 12.079 -2.433 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.076 12.474 -4.158 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.692 10.630 -4.549 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.040 10.742 -5.706 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.567 9.161 -5.041 1.00 0.00 H new ATOM 489 N VAL A 32 6.057 7.486 -3.446 1.00 0.00 N ATOM 490 CA VAL A 32 6.132 6.038 -3.682 1.00 0.00 C ATOM 491 C VAL A 32 4.980 5.363 -2.951 1.00 0.00 C ATOM 492 O VAL A 32 4.765 5.600 -1.759 1.00 0.00 O ATOM 493 CB VAL A 32 7.490 5.454 -3.238 1.00 0.00 C ATOM 494 CG1 VAL A 32 7.616 3.981 -3.652 1.00 0.00 C ATOM 495 CG2 VAL A 32 8.675 6.211 -3.857 1.00 0.00 C ATOM 0 H VAL A 32 6.005 7.722 -2.455 1.00 0.00 H new ATOM 0 HA VAL A 32 6.049 5.849 -4.752 1.00 0.00 H new ATOM 0 HB VAL A 32 7.520 5.554 -2.153 1.00 0.00 H new ATOM 0 HG11 VAL A 32 8.582 3.593 -3.328 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.818 3.403 -3.187 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.538 3.900 -4.736 1.00 0.00 H new ATOM 0 HG21 VAL A 32 9.609 5.765 -3.516 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.618 6.149 -4.944 1.00 0.00 H new ATOM 0 HG23 VAL A 32 8.639 7.256 -3.551 1.00 0.00 H new ATOM 505 N VAL A 33 4.228 4.525 -3.660 1.00 0.00 N ATOM 506 CA VAL A 33 3.033 3.830 -3.155 1.00 0.00 C ATOM 507 C VAL A 33 3.135 2.325 -3.406 1.00 0.00 C ATOM 508 O VAL A 33 3.836 1.893 -4.320 1.00 0.00 O ATOM 509 CB VAL A 33 1.778 4.465 -3.791 1.00 0.00 C ATOM 510 CG1 VAL A 33 1.533 4.000 -5.228 1.00 0.00 C ATOM 511 CG2 VAL A 33 0.504 4.217 -2.990 1.00 0.00 C ATOM 0 H VAL A 33 4.435 4.300 -4.633 1.00 0.00 H new ATOM 0 HA VAL A 33 2.956 3.948 -2.074 1.00 0.00 H new ATOM 0 HB VAL A 33 2.000 5.532 -3.789 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.637 4.482 -5.619 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.389 4.268 -5.848 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.399 2.918 -5.243 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.340 4.690 -3.493 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.326 3.144 -2.913 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.614 4.639 -1.991 1.00 0.00 H new ATOM 521 N GLY A 34 2.417 1.523 -2.622 1.00 0.00 N ATOM 522 CA GLY A 34 2.346 0.068 -2.734 1.00 0.00 C ATOM 523 C GLY A 34 0.911 -0.373 -2.987 1.00 0.00 C ATOM 524 O GLY A 34 0.053 -0.174 -2.127 1.00 0.00 O ATOM 0 H GLY A 34 1.845 1.885 -1.859 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.987 -0.273 -3.547 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.719 -0.393 -1.819 1.00 0.00 H new ATOM 528 N ILE A 35 0.641 -0.946 -4.162 1.00 0.00 N ATOM 529 CA ILE A 35 -0.682 -1.444 -4.574 1.00 0.00 C ATOM 530 C ILE A 35 -0.628 -2.967 -4.691 1.00 0.00 C ATOM 531 O ILE A 35 0.118 -3.518 -5.503 1.00 0.00 O ATOM 532 CB ILE A 35 -1.179 -0.749 -5.865 1.00 0.00 C ATOM 533 CG1 ILE A 35 -1.353 0.759 -5.571 1.00 0.00 C ATOM 534 CG2 ILE A 35 -2.507 -1.371 -6.342 1.00 0.00 C ATOM 535 CD1 ILE A 35 -2.000 1.583 -6.687 1.00 0.00 C ATOM 0 H ILE A 35 1.355 -1.082 -4.877 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.421 -1.192 -3.814 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.450 -0.886 -6.663 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.955 0.867 -4.669 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.373 1.183 -5.353 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.839 -0.868 -7.250 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.359 -2.431 -6.547 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.263 -1.254 -5.566 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -2.073 2.625 -6.375 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.391 1.516 -7.588 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.998 1.196 -6.894 1.00 0.00 H new ATOM 547 N GLY A 36 -1.399 -3.642 -3.835 1.00 0.00 N ATOM 548 CA GLY A 36 -1.464 -5.105 -3.760 1.00 0.00 C ATOM 549 C GLY A 36 -2.069 -5.724 -5.022 1.00 0.00 C ATOM 550 O GLY A 36 -3.026 -5.188 -5.586 1.00 0.00 O ATOM 0 H GLY A 36 -2.008 -3.178 -3.161 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -0.461 -5.504 -3.607 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -2.058 -5.396 -2.894 1.00 0.00 H new ATOM 554 N GLU A 37 -1.547 -6.869 -5.466 1.00 0.00 N ATOM 555 CA GLU A 37 -1.856 -7.437 -6.786 1.00 0.00 C ATOM 556 C GLU A 37 -3.237 -8.125 -6.837 1.00 0.00 C ATOM 557 O GLU A 37 -3.651 -8.624 -7.886 1.00 0.00 O ATOM 558 CB GLU A 37 -0.705 -8.348 -7.267 1.00 0.00 C ATOM 559 CG GLU A 37 -0.455 -9.589 -6.399 1.00 0.00 C ATOM 560 CD GLU A 37 0.661 -10.494 -6.959 1.00 0.00 C ATOM 561 OE1 GLU A 37 0.598 -10.892 -8.146 1.00 0.00 O ATOM 562 OE2 GLU A 37 1.583 -10.860 -6.191 1.00 0.00 O ATOM 0 H GLU A 37 -0.895 -7.433 -4.920 1.00 0.00 H new ATOM 0 HA GLU A 37 -1.933 -6.610 -7.492 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.920 -8.672 -8.285 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.212 -7.760 -7.306 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.189 -9.274 -5.390 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -1.378 -10.164 -6.320 1.00 0.00 H new ATOM 569 N ARG A 38 -3.956 -8.140 -5.702 1.00 0.00 N ATOM 570 CA ARG A 38 -5.327 -8.642 -5.495 1.00 0.00 C ATOM 571 C ARG A 38 -6.334 -7.540 -5.122 1.00 0.00 C ATOM 572 O ARG A 38 -7.527 -7.823 -5.011 1.00 0.00 O ATOM 573 CB ARG A 38 -5.291 -9.778 -4.445 1.00 0.00 C ATOM 574 CG ARG A 38 -5.142 -11.200 -5.013 1.00 0.00 C ATOM 575 CD ARG A 38 -4.191 -11.318 -6.207 1.00 0.00 C ATOM 576 NE ARG A 38 -3.913 -12.711 -6.600 1.00 0.00 N ATOM 577 CZ ARG A 38 -3.166 -13.081 -7.626 1.00 0.00 C ATOM 578 NH1 ARG A 38 -2.618 -12.210 -8.427 1.00 0.00 N ATOM 579 NH2 ARG A 38 -2.952 -14.341 -7.873 1.00 0.00 N ATOM 0 H ARG A 38 -3.563 -7.772 -4.836 1.00 0.00 H new ATOM 0 HA ARG A 38 -5.690 -9.034 -6.445 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -4.464 -9.590 -3.760 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -6.208 -9.735 -3.857 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -4.789 -11.858 -4.219 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -6.126 -11.561 -5.313 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -4.620 -10.787 -7.057 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -3.251 -10.823 -5.963 1.00 0.00 H new ATOM 0 HE ARG A 38 -4.331 -13.450 -6.034 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -2.761 -11.212 -8.270 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -2.047 -12.526 -9.210 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -3.363 -15.055 -7.272 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -2.374 -14.614 -8.668 1.00 0.00 H new ATOM 593 N SER A 39 -5.895 -6.282 -4.997 1.00 0.00 N ATOM 594 CA SER A 39 -6.780 -5.116 -4.808 1.00 0.00 C ATOM 595 C SER A 39 -7.662 -4.806 -6.031 1.00 0.00 C ATOM 596 O SER A 39 -8.684 -4.130 -5.899 1.00 0.00 O ATOM 597 CB SER A 39 -5.957 -3.870 -4.460 1.00 0.00 C ATOM 598 OG SER A 39 -5.212 -3.422 -5.581 1.00 0.00 O ATOM 0 H SER A 39 -4.905 -6.037 -5.024 1.00 0.00 H new ATOM 0 HA SER A 39 -7.446 -5.381 -3.986 1.00 0.00 H new ATOM 0 HB2 SER A 39 -6.621 -3.075 -4.119 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.280 -4.096 -3.636 1.00 0.00 H new ATOM 0 HG SER A 39 -4.417 -3.985 -5.692 1.00 0.00 H new ATOM 604 N ALA A 40 -7.272 -5.301 -7.216 1.00 0.00 N ATOM 605 CA ALA A 40 -7.888 -5.084 -8.532 1.00 0.00 C ATOM 606 C ALA A 40 -8.006 -3.604 -8.983 1.00 0.00 C ATOM 607 O ALA A 40 -8.664 -3.318 -9.988 1.00 0.00 O ATOM 608 CB ALA A 40 -9.210 -5.864 -8.603 1.00 0.00 C ATOM 0 H ALA A 40 -6.456 -5.909 -7.283 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.199 -5.482 -9.277 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.673 -5.708 -9.577 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -9.014 -6.927 -8.461 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.883 -5.512 -7.821 1.00 0.00 H new ATOM 614 N MET A 41 -7.378 -2.658 -8.273 1.00 0.00 N ATOM 615 CA MET A 41 -7.353 -1.236 -8.635 1.00 0.00 C ATOM 616 C MET A 41 -6.391 -0.966 -9.801 1.00 0.00 C ATOM 617 O MET A 41 -5.274 -1.488 -9.845 1.00 0.00 O ATOM 618 CB MET A 41 -6.951 -0.385 -7.422 1.00 0.00 C ATOM 619 CG MET A 41 -7.993 -0.479 -6.299 1.00 0.00 C ATOM 620 SD MET A 41 -7.813 0.756 -4.982 1.00 0.00 S ATOM 621 CE MET A 41 -6.204 0.280 -4.298 1.00 0.00 C ATOM 0 H MET A 41 -6.864 -2.864 -7.416 1.00 0.00 H new ATOM 0 HA MET A 41 -8.358 -0.961 -8.955 1.00 0.00 H new ATOM 0 HB2 MET A 41 -5.982 -0.716 -7.049 1.00 0.00 H new ATOM 0 HB3 MET A 41 -6.837 0.655 -7.728 1.00 0.00 H new ATOM 0 HG2 MET A 41 -8.987 -0.380 -6.736 1.00 0.00 H new ATOM 0 HG3 MET A 41 -7.938 -1.473 -5.855 1.00 0.00 H new ATOM 0 HE1 MET A 41 -6.139 0.607 -3.260 1.00 0.00 H new ATOM 0 HE2 MET A 41 -6.095 -0.803 -4.345 1.00 0.00 H new ATOM 0 HE3 MET A 41 -5.409 0.750 -4.877 1.00 0.00 H new ATOM 631 N ASP A 42 -6.808 -0.115 -10.740 1.00 0.00 N ATOM 632 CA ASP A 42 -5.975 0.354 -11.852 1.00 0.00 C ATOM 633 C ASP A 42 -4.974 1.421 -11.377 1.00 0.00 C ATOM 634 O ASP A 42 -5.350 2.564 -11.098 1.00 0.00 O ATOM 635 CB ASP A 42 -6.860 0.888 -12.990 1.00 0.00 C ATOM 636 CG ASP A 42 -7.556 -0.249 -13.757 1.00 0.00 C ATOM 637 OD1 ASP A 42 -6.864 -0.979 -14.507 1.00 0.00 O ATOM 638 OD2 ASP A 42 -8.794 -0.405 -13.630 1.00 0.00 O ATOM 0 H ASP A 42 -7.750 0.275 -10.750 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.399 -0.489 -12.234 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -7.612 1.562 -12.579 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -6.251 1.472 -13.680 1.00 0.00 H new ATOM 643 N LYS A 43 -3.682 1.067 -11.307 1.00 0.00 N ATOM 644 CA LYS A 43 -2.579 1.989 -10.968 1.00 0.00 C ATOM 645 C LYS A 43 -2.585 3.273 -11.812 1.00 0.00 C ATOM 646 O LYS A 43 -2.382 4.364 -11.281 1.00 0.00 O ATOM 647 CB LYS A 43 -1.232 1.238 -11.024 1.00 0.00 C ATOM 648 CG LYS A 43 -0.791 0.777 -12.429 1.00 0.00 C ATOM 649 CD LYS A 43 0.336 -0.271 -12.417 1.00 0.00 C ATOM 650 CE LYS A 43 1.612 0.241 -11.736 1.00 0.00 C ATOM 651 NZ LYS A 43 2.719 -0.753 -11.796 1.00 0.00 N ATOM 0 H LYS A 43 -3.365 0.114 -11.487 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.732 2.334 -9.946 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.457 1.885 -10.612 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.295 0.364 -10.376 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -1.653 0.363 -12.952 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.460 1.646 -12.998 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.012 -1.167 -11.902 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.567 -0.562 -13.442 1.00 0.00 H new ATOM 0 HE2 LYS A 43 1.931 1.167 -12.215 1.00 0.00 H new ATOM 0 HE3 LYS A 43 1.396 0.479 -10.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 3.560 -0.365 -11.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 2.426 -1.628 -11.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.945 -0.962 -12.790 1.00 0.00 H new ATOM 665 N SER A 44 -2.891 3.133 -13.106 1.00 0.00 N ATOM 666 CA SER A 44 -3.062 4.213 -14.089 1.00 0.00 C ATOM 667 C SER A 44 -4.189 5.189 -13.710 1.00 0.00 C ATOM 668 O SER A 44 -4.004 6.406 -13.761 1.00 0.00 O ATOM 669 CB SER A 44 -3.328 3.601 -15.472 1.00 0.00 C ATOM 670 OG SER A 44 -3.362 4.594 -16.482 1.00 0.00 O ATOM 0 H SER A 44 -3.034 2.212 -13.521 1.00 0.00 H new ATOM 0 HA SER A 44 -2.140 4.795 -14.106 1.00 0.00 H new ATOM 0 HB2 SER A 44 -2.552 2.872 -15.704 1.00 0.00 H new ATOM 0 HB3 SER A 44 -4.276 3.064 -15.457 1.00 0.00 H new ATOM 0 HG SER A 44 -3.532 4.172 -17.350 1.00 0.00 H new ATOM 676 N LEU A 45 -5.347 4.677 -13.277 1.00 0.00 N ATOM 677 CA LEU A 45 -6.486 5.485 -12.828 1.00 0.00 C ATOM 678 C LEU A 45 -6.144 6.296 -11.567 1.00 0.00 C ATOM 679 O LEU A 45 -6.376 7.505 -11.531 1.00 0.00 O ATOM 680 CB LEU A 45 -7.698 4.554 -12.622 1.00 0.00 C ATOM 681 CG LEU A 45 -8.992 5.244 -12.154 1.00 0.00 C ATOM 682 CD1 LEU A 45 -9.468 6.329 -13.122 1.00 0.00 C ATOM 683 CD2 LEU A 45 -10.101 4.200 -12.021 1.00 0.00 C ATOM 0 H LEU A 45 -5.521 3.673 -13.228 1.00 0.00 H new ATOM 0 HA LEU A 45 -6.737 6.223 -13.590 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -7.901 4.038 -13.560 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.428 3.792 -11.891 1.00 0.00 H new ATOM 0 HG LEU A 45 -8.772 5.719 -11.198 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -10.384 6.781 -12.741 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.698 7.095 -13.217 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -9.662 5.886 -14.099 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -11.019 4.685 -11.690 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -10.270 3.724 -12.987 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -9.805 3.446 -11.292 1.00 0.00 H new ATOM 695 N PHE A 46 -5.563 5.650 -10.550 1.00 0.00 N ATOM 696 CA PHE A 46 -5.135 6.306 -9.308 1.00 0.00 C ATOM 697 C PHE A 46 -4.108 7.429 -9.555 1.00 0.00 C ATOM 698 O PHE A 46 -4.342 8.564 -9.134 1.00 0.00 O ATOM 699 CB PHE A 46 -4.630 5.252 -8.313 1.00 0.00 C ATOM 700 CG PHE A 46 -3.922 5.837 -7.103 1.00 0.00 C ATOM 701 CD1 PHE A 46 -4.626 6.581 -6.129 1.00 0.00 C ATOM 702 CD2 PHE A 46 -2.526 5.681 -6.987 1.00 0.00 C ATOM 703 CE1 PHE A 46 -3.925 7.184 -5.069 1.00 0.00 C ATOM 704 CE2 PHE A 46 -1.843 6.254 -5.903 1.00 0.00 C ATOM 705 CZ PHE A 46 -2.537 7.018 -4.957 1.00 0.00 C ATOM 0 H PHE A 46 -5.375 4.648 -10.565 1.00 0.00 H new ATOM 0 HA PHE A 46 -5.999 6.804 -8.868 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -5.475 4.653 -7.973 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -3.948 4.576 -8.829 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -5.699 6.686 -6.198 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.982 5.120 -7.733 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -4.457 7.776 -4.339 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.778 6.105 -5.798 1.00 0.00 H new ATOM 0 HZ PHE A 46 -2.003 7.480 -4.140 1.00 0.00 H new ATOM 715 N VAL A 47 -3.002 7.164 -10.270 1.00 0.00 N ATOM 716 CA VAL A 47 -2.031 8.223 -10.619 1.00 0.00 C ATOM 717 C VAL A 47 -2.635 9.344 -11.434 1.00 0.00 C ATOM 718 O VAL A 47 -2.382 10.508 -11.147 1.00 0.00 O ATOM 719 CB VAL A 47 -0.779 7.680 -11.311 1.00 0.00 C ATOM 720 CG1 VAL A 47 -0.942 7.114 -12.720 1.00 0.00 C ATOM 721 CG2 VAL A 47 0.357 8.705 -11.377 1.00 0.00 C ATOM 0 H VAL A 47 -2.756 6.237 -10.616 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.729 8.642 -9.659 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.544 6.843 -10.653 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.024 6.766 -13.086 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.644 6.280 -12.698 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.323 7.891 -13.383 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.218 8.262 -11.878 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.024 9.582 -11.933 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.639 9.002 -10.367 1.00 0.00 H new ATOM 731 N SER A 48 -3.472 9.020 -12.416 1.00 0.00 N ATOM 732 CA SER A 48 -4.116 10.039 -13.236 1.00 0.00 C ATOM 733 C SER A 48 -4.989 10.982 -12.390 1.00 0.00 C ATOM 734 O SER A 48 -5.011 12.192 -12.627 1.00 0.00 O ATOM 735 CB SER A 48 -4.910 9.354 -14.345 1.00 0.00 C ATOM 736 OG SER A 48 -5.475 10.301 -15.238 1.00 0.00 O ATOM 0 H SER A 48 -3.719 8.061 -12.662 1.00 0.00 H new ATOM 0 HA SER A 48 -3.353 10.671 -13.691 1.00 0.00 H new ATOM 0 HB2 SER A 48 -4.258 8.676 -14.896 1.00 0.00 H new ATOM 0 HB3 SER A 48 -5.702 8.748 -13.906 1.00 0.00 H new ATOM 0 HG SER A 48 -5.976 9.832 -15.938 1.00 0.00 H new ATOM 742 N ALA A 49 -5.627 10.465 -11.332 1.00 0.00 N ATOM 743 CA ALA A 49 -6.384 11.275 -10.371 1.00 0.00 C ATOM 744 C ALA A 49 -5.462 12.152 -9.497 1.00 0.00 C ATOM 745 O ALA A 49 -5.707 13.352 -9.343 1.00 0.00 O ATOM 746 CB ALA A 49 -7.278 10.360 -9.526 1.00 0.00 C ATOM 0 H ALA A 49 -5.632 9.468 -11.118 1.00 0.00 H new ATOM 0 HA ALA A 49 -7.017 11.969 -10.923 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.841 10.960 -8.811 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.971 9.826 -10.177 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.659 9.642 -8.988 1.00 0.00 H new ATOM 752 N PHE A 50 -4.377 11.579 -8.964 1.00 0.00 N ATOM 753 CA PHE A 50 -3.319 12.296 -8.239 1.00 0.00 C ATOM 754 C PHE A 50 -2.697 13.449 -9.047 1.00 0.00 C ATOM 755 O PHE A 50 -2.590 14.562 -8.537 1.00 0.00 O ATOM 756 CB PHE A 50 -2.282 11.271 -7.772 1.00 0.00 C ATOM 757 CG PHE A 50 -1.040 11.833 -7.108 1.00 0.00 C ATOM 758 CD1 PHE A 50 0.075 12.171 -7.898 1.00 0.00 C ATOM 759 CD2 PHE A 50 -0.960 11.934 -5.706 1.00 0.00 C ATOM 760 CE1 PHE A 50 1.277 12.569 -7.293 1.00 0.00 C ATOM 761 CE2 PHE A 50 0.255 12.296 -5.098 1.00 0.00 C ATOM 762 CZ PHE A 50 1.376 12.603 -5.892 1.00 0.00 C ATOM 0 H PHE A 50 -4.205 10.576 -9.026 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.758 12.792 -7.373 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.765 10.588 -7.073 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.972 10.679 -8.634 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.005 12.124 -8.975 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.830 11.734 -5.099 1.00 0.00 H new ATOM 0 HE1 PHE A 50 2.124 12.848 -7.903 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.328 12.339 -4.021 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.313 12.865 -5.424 1.00 0.00 H new ATOM 772 N GLU A 51 -2.328 13.218 -10.309 1.00 0.00 N ATOM 773 CA GLU A 51 -1.805 14.236 -11.236 1.00 0.00 C ATOM 774 C GLU A 51 -2.839 15.326 -11.571 1.00 0.00 C ATOM 775 O GLU A 51 -2.484 16.488 -11.771 1.00 0.00 O ATOM 776 CB GLU A 51 -1.360 13.569 -12.548 1.00 0.00 C ATOM 777 CG GLU A 51 -0.141 12.653 -12.387 1.00 0.00 C ATOM 778 CD GLU A 51 1.135 13.400 -11.950 1.00 0.00 C ATOM 779 OE1 GLU A 51 1.457 14.459 -12.542 1.00 0.00 O ATOM 780 OE2 GLU A 51 1.829 12.918 -11.025 1.00 0.00 O ATOM 0 H GLU A 51 -2.385 12.291 -10.731 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.964 14.712 -10.732 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.190 12.988 -12.951 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -1.128 14.343 -13.279 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.371 11.881 -11.652 1.00 0.00 H new ATOM 0 HG3 GLU A 51 0.050 12.146 -13.333 1.00 0.00 H new ATOM 787 N THR A 52 -4.122 14.962 -11.612 1.00 0.00 N ATOM 788 CA THR A 52 -5.249 15.884 -11.853 1.00 0.00 C ATOM 789 C THR A 52 -5.430 16.869 -10.692 1.00 0.00 C ATOM 790 O THR A 52 -5.381 18.081 -10.901 1.00 0.00 O ATOM 791 CB THR A 52 -6.555 15.122 -12.145 1.00 0.00 C ATOM 792 OG1 THR A 52 -6.434 14.411 -13.358 1.00 0.00 O ATOM 793 CG2 THR A 52 -7.762 16.043 -12.320 1.00 0.00 C ATOM 0 H THR A 52 -4.420 13.996 -11.476 1.00 0.00 H new ATOM 0 HA THR A 52 -5.003 16.464 -12.742 1.00 0.00 H new ATOM 0 HB THR A 52 -6.713 14.471 -11.285 1.00 0.00 H new ATOM 0 HG1 THR A 52 -6.029 13.535 -13.185 1.00 0.00 H new ATOM 0 HG21 THR A 52 -8.650 15.444 -12.523 1.00 0.00 H new ATOM 0 HG22 THR A 52 -7.914 16.620 -11.408 1.00 0.00 H new ATOM 0 HG23 THR A 52 -7.584 16.722 -13.154 1.00 0.00 H new ATOM 801 N PHE A 53 -5.616 16.380 -9.459 1.00 0.00 N ATOM 802 CA PHE A 53 -5.768 17.241 -8.272 1.00 0.00 C ATOM 803 C PHE A 53 -4.457 17.903 -7.794 1.00 0.00 C ATOM 804 O PHE A 53 -4.502 18.789 -6.937 1.00 0.00 O ATOM 805 CB PHE A 53 -6.448 16.453 -7.139 1.00 0.00 C ATOM 806 CG PHE A 53 -7.963 16.501 -7.174 1.00 0.00 C ATOM 807 CD1 PHE A 53 -8.627 17.690 -6.813 1.00 0.00 C ATOM 808 CD2 PHE A 53 -8.716 15.367 -7.535 1.00 0.00 C ATOM 809 CE1 PHE A 53 -10.032 17.751 -6.825 1.00 0.00 C ATOM 810 CE2 PHE A 53 -10.121 15.430 -7.546 1.00 0.00 C ATOM 811 CZ PHE A 53 -10.780 16.620 -7.193 1.00 0.00 C ATOM 0 H PHE A 53 -5.666 15.382 -9.253 1.00 0.00 H new ATOM 0 HA PHE A 53 -6.404 18.074 -8.572 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -6.127 15.413 -7.191 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -6.105 16.845 -6.182 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -8.054 18.559 -6.526 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -8.215 14.449 -7.803 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -10.536 18.666 -6.552 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -10.696 14.560 -7.827 1.00 0.00 H new ATOM 0 HZ PHE A 53 -11.859 16.665 -7.205 1.00 0.00 H new ATOM 821 N ARG A 54 -3.296 17.532 -8.358 1.00 0.00 N ATOM 822 CA ARG A 54 -1.951 18.065 -8.044 1.00 0.00 C ATOM 823 C ARG A 54 -1.905 19.597 -8.059 1.00 0.00 C ATOM 824 O ARG A 54 -1.235 20.221 -7.242 1.00 0.00 O ATOM 825 CB ARG A 54 -0.964 17.500 -9.083 1.00 0.00 C ATOM 826 CG ARG A 54 0.496 17.394 -8.625 1.00 0.00 C ATOM 827 CD ARG A 54 0.857 16.010 -8.059 1.00 0.00 C ATOM 828 NE ARG A 54 0.460 15.818 -6.648 1.00 0.00 N ATOM 829 CZ ARG A 54 1.260 15.777 -5.593 1.00 0.00 C ATOM 830 NH1 ARG A 54 2.495 16.180 -5.627 1.00 0.00 N ATOM 831 NH2 ARG A 54 0.846 15.311 -4.453 1.00 0.00 N ATOM 0 H ARG A 54 -3.263 16.816 -9.083 1.00 0.00 H new ATOM 0 HA ARG A 54 -1.683 17.758 -7.033 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -1.305 16.508 -9.379 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -1.002 18.129 -9.972 1.00 0.00 H new ATOM 0 HG2 ARG A 54 1.151 17.616 -9.467 1.00 0.00 H new ATOM 0 HG3 ARG A 54 0.687 18.151 -7.864 1.00 0.00 H new ATOM 0 HD2 ARG A 54 0.379 15.243 -8.668 1.00 0.00 H new ATOM 0 HD3 ARG A 54 1.933 15.862 -8.147 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.537 15.705 -6.467 1.00 0.00 H new ATOM 0 HH11 ARG A 54 2.888 16.548 -6.493 1.00 0.00 H new ATOM 0 HH12 ARG A 54 3.072 16.128 -4.787 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -0.110 14.968 -4.359 1.00 0.00 H new ATOM 0 HH22 ARG A 54 1.477 15.288 -3.652 1.00 0.00 H new ATOM 845 N GLU A 55 -2.655 20.184 -8.990 1.00 0.00 N ATOM 846 CA GLU A 55 -2.784 21.619 -9.266 1.00 0.00 C ATOM 847 C GLU A 55 -3.388 22.458 -8.125 1.00 0.00 C ATOM 848 O GLU A 55 -3.327 23.686 -8.169 1.00 0.00 O ATOM 849 CB GLU A 55 -3.597 21.830 -10.555 1.00 0.00 C ATOM 850 CG GLU A 55 -3.094 20.973 -11.726 1.00 0.00 C ATOM 851 CD GLU A 55 -3.541 21.558 -13.080 1.00 0.00 C ATOM 852 OE1 GLU A 55 -4.709 21.344 -13.489 1.00 0.00 O ATOM 853 OE2 GLU A 55 -2.726 22.242 -13.746 1.00 0.00 O ATOM 0 H GLU A 55 -3.233 19.629 -9.621 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.762 21.982 -9.378 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -4.643 21.593 -10.361 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.555 22.882 -10.837 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -2.006 20.913 -11.695 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -3.472 19.956 -11.624 1.00 0.00 H new ATOM 860 N GLU A 56 -3.942 21.822 -7.090 1.00 0.00 N ATOM 861 CA GLU A 56 -4.440 22.494 -5.879 1.00 0.00 C ATOM 862 C GLU A 56 -3.341 23.270 -5.119 1.00 0.00 C ATOM 863 O GLU A 56 -3.633 24.286 -4.480 1.00 0.00 O ATOM 864 CB GLU A 56 -5.111 21.444 -4.974 1.00 0.00 C ATOM 865 CG GLU A 56 -5.824 22.059 -3.762 1.00 0.00 C ATOM 866 CD GLU A 56 -6.665 21.007 -3.015 1.00 0.00 C ATOM 867 OE1 GLU A 56 -6.138 20.346 -2.088 1.00 0.00 O ATOM 868 OE2 GLU A 56 -7.870 20.853 -3.333 1.00 0.00 O ATOM 0 H GLU A 56 -4.061 20.809 -7.066 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.167 23.247 -6.183 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.832 20.875 -5.561 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.357 20.739 -4.625 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.087 22.488 -3.083 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.467 22.875 -4.091 1.00 0.00 H new ATOM 875 N SER A 57 -2.078 22.830 -5.217 1.00 0.00 N ATOM 876 CA SER A 57 -0.953 23.309 -4.396 1.00 0.00 C ATOM 877 C SER A 57 0.324 23.490 -5.223 1.00 0.00 C ATOM 878 O SER A 57 0.750 22.582 -5.934 1.00 0.00 O ATOM 879 CB SER A 57 -0.701 22.313 -3.256 1.00 0.00 C ATOM 880 OG SER A 57 -1.859 22.178 -2.446 1.00 0.00 O ATOM 0 H SER A 57 -1.802 22.112 -5.887 1.00 0.00 H new ATOM 0 HA SER A 57 -1.220 24.286 -3.992 1.00 0.00 H new ATOM 0 HB2 SER A 57 -0.424 21.343 -3.668 1.00 0.00 H new ATOM 0 HB3 SER A 57 0.137 22.652 -2.648 1.00 0.00 H new ATOM 0 HG SER A 57 -1.740 21.428 -1.827 1.00 0.00 H new ATOM 886 N LEU A 58 0.978 24.653 -5.125 1.00 0.00 N ATOM 887 CA LEU A 58 2.145 25.000 -5.955 1.00 0.00 C ATOM 888 C LEU A 58 3.356 24.079 -5.714 1.00 0.00 C ATOM 889 O LEU A 58 4.068 23.724 -6.653 1.00 0.00 O ATOM 890 CB LEU A 58 2.501 26.493 -5.738 1.00 0.00 C ATOM 891 CG LEU A 58 2.564 27.357 -7.013 1.00 0.00 C ATOM 892 CD1 LEU A 58 3.636 26.876 -7.993 1.00 0.00 C ATOM 893 CD2 LEU A 58 1.212 27.423 -7.731 1.00 0.00 C ATOM 0 H LEU A 58 0.714 25.385 -4.466 1.00 0.00 H new ATOM 0 HA LEU A 58 1.873 24.842 -6.999 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.765 26.928 -5.062 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.467 26.548 -5.236 1.00 0.00 H new ATOM 0 HG LEU A 58 2.832 28.358 -6.674 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.639 27.518 -8.874 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.613 26.916 -7.512 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.421 25.850 -8.293 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.304 28.042 -8.623 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.903 26.418 -8.017 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.467 27.856 -7.064 1.00 0.00 H new ATOM 905 N VAL A 59 3.551 23.640 -4.466 1.00 0.00 N ATOM 906 CA VAL A 59 4.639 22.733 -4.042 1.00 0.00 C ATOM 907 C VAL A 59 4.470 21.311 -4.596 1.00 0.00 C ATOM 908 O VAL A 59 5.445 20.574 -4.733 1.00 0.00 O ATOM 909 CB VAL A 59 4.771 22.682 -2.502 1.00 0.00 C ATOM 910 CG1 VAL A 59 4.738 24.078 -1.861 1.00 0.00 C ATOM 911 CG2 VAL A 59 3.690 21.845 -1.809 1.00 0.00 C ATOM 0 H VAL A 59 2.941 23.911 -3.695 1.00 0.00 H new ATOM 0 HA VAL A 59 5.555 23.149 -4.461 1.00 0.00 H new ATOM 0 HB VAL A 59 5.742 22.209 -2.351 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.834 23.984 -0.779 1.00 0.00 H new ATOM 0 HG12 VAL A 59 5.563 24.676 -2.248 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.793 24.566 -2.100 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.853 21.860 -0.731 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.708 22.262 -2.033 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.739 20.817 -2.169 1.00 0.00 H new ATOM 921 N CYS A 60 3.226 20.928 -4.907 1.00 0.00 N ATOM 922 CA CYS A 60 2.833 19.603 -5.379 1.00 0.00 C ATOM 923 C CYS A 60 3.096 19.391 -6.873 1.00 0.00 C ATOM 924 O CYS A 60 3.296 18.250 -7.292 1.00 0.00 O ATOM 925 CB CYS A 60 1.336 19.414 -5.064 1.00 0.00 C ATOM 926 SG CYS A 60 1.164 19.015 -3.300 1.00 0.00 S ATOM 0 H CYS A 60 2.433 21.565 -4.832 1.00 0.00 H new ATOM 0 HA CYS A 60 3.443 18.860 -4.864 1.00 0.00 H new ATOM 0 HB2 CYS A 60 0.781 20.321 -5.303 1.00 0.00 H new ATOM 0 HB3 CYS A 60 0.918 18.614 -5.676 1.00 0.00 H new ATOM 0 HG CYS A 60 -0.091 19.062 -2.965 1.00 0.00 H new ATOM 932 N LYS A 61 3.073 20.453 -7.687 1.00 0.00 N ATOM 933 CA LYS A 61 3.075 20.308 -9.156 1.00 0.00 C ATOM 934 C LYS A 61 4.389 19.756 -9.724 1.00 0.00 C ATOM 935 O LYS A 61 4.382 19.091 -10.759 1.00 0.00 O ATOM 936 CB LYS A 61 2.681 21.620 -9.848 1.00 0.00 C ATOM 937 CG LYS A 61 1.395 22.224 -9.254 1.00 0.00 C ATOM 938 CD LYS A 61 0.523 22.961 -10.273 1.00 0.00 C ATOM 939 CE LYS A 61 1.231 23.913 -11.254 1.00 0.00 C ATOM 940 NZ LYS A 61 1.783 25.125 -10.599 1.00 0.00 N ATOM 0 H LYS A 61 3.053 21.419 -7.360 1.00 0.00 H new ATOM 0 HA LYS A 61 2.317 19.556 -9.376 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.496 22.338 -9.754 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.538 21.439 -10.913 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.808 21.426 -8.799 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.666 22.915 -8.456 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.016 22.215 -10.857 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.223 23.536 -9.725 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.039 23.377 -11.751 1.00 0.00 H new ATOM 0 HE3 LYS A 61 0.526 24.216 -12.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.346 25.973 -11.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 1.578 25.093 -9.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.812 25.160 -10.744 1.00 0.00 H new ATOM 954 N ASP A 62 5.503 19.985 -9.031 1.00 0.00 N ATOM 955 CA ASP A 62 6.815 19.399 -9.325 1.00 0.00 C ATOM 956 C ASP A 62 6.995 18.058 -8.581 1.00 0.00 C ATOM 957 O ASP A 62 7.701 17.974 -7.573 1.00 0.00 O ATOM 958 CB ASP A 62 7.906 20.436 -8.996 1.00 0.00 C ATOM 959 CG ASP A 62 9.321 19.999 -9.420 1.00 0.00 C ATOM 960 OD1 ASP A 62 9.463 19.128 -10.314 1.00 0.00 O ATOM 961 OD2 ASP A 62 10.304 20.583 -8.902 1.00 0.00 O ATOM 0 H ASP A 62 5.520 20.605 -8.221 1.00 0.00 H new ATOM 0 HA ASP A 62 6.898 19.158 -10.385 1.00 0.00 H new ATOM 0 HB2 ASP A 62 7.662 21.377 -9.490 1.00 0.00 H new ATOM 0 HB3 ASP A 62 7.901 20.629 -7.923 1.00 0.00 H new ATOM 966 N ALA A 63 6.309 17.009 -9.046 1.00 0.00 N ATOM 967 CA ALA A 63 6.372 15.647 -8.499 1.00 0.00 C ATOM 968 C ALA A 63 6.014 14.575 -9.549 1.00 0.00 C ATOM 969 O ALA A 63 5.411 14.884 -10.580 1.00 0.00 O ATOM 970 CB ALA A 63 5.390 15.550 -7.322 1.00 0.00 C ATOM 0 H ALA A 63 5.673 17.086 -9.840 1.00 0.00 H new ATOM 0 HA ALA A 63 7.396 15.458 -8.178 1.00 0.00 H new ATOM 0 HB1 ALA A 63 5.423 14.544 -6.903 1.00 0.00 H new ATOM 0 HB2 ALA A 63 5.669 16.272 -6.555 1.00 0.00 H new ATOM 0 HB3 ALA A 63 4.380 15.764 -7.672 1.00 0.00 H new ATOM 976 N ILE A 64 6.317 13.307 -9.240 1.00 0.00 N ATOM 977 CA ILE A 64 5.825 12.091 -9.916 1.00 0.00 C ATOM 978 C ILE A 64 5.480 11.029 -8.852 1.00 0.00 C ATOM 979 O ILE A 64 6.118 10.969 -7.797 1.00 0.00 O ATOM 980 CB ILE A 64 6.875 11.570 -10.937 1.00 0.00 C ATOM 981 CG1 ILE A 64 7.182 12.544 -12.096 1.00 0.00 C ATOM 982 CG2 ILE A 64 6.525 10.182 -11.511 1.00 0.00 C ATOM 983 CD1 ILE A 64 6.027 12.754 -13.079 1.00 0.00 C ATOM 0 H ILE A 64 6.947 13.086 -8.469 1.00 0.00 H new ATOM 0 HA ILE A 64 4.922 12.321 -10.481 1.00 0.00 H new ATOM 0 HB ILE A 64 7.781 11.485 -10.337 1.00 0.00 H new ATOM 0 HG12 ILE A 64 7.464 13.510 -11.676 1.00 0.00 H new ATOM 0 HG13 ILE A 64 8.046 12.172 -12.646 1.00 0.00 H new ATOM 0 HG21 ILE A 64 7.297 9.875 -12.217 1.00 0.00 H new ATOM 0 HG22 ILE A 64 6.467 9.457 -10.699 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.564 10.232 -12.023 1.00 0.00 H new ATOM 0 HD11 ILE A 64 6.334 13.452 -13.858 1.00 0.00 H new ATOM 0 HD12 ILE A 64 5.757 11.800 -13.533 1.00 0.00 H new ATOM 0 HD13 ILE A 64 5.166 13.159 -12.547 1.00 0.00 H new ATOM 995 N LEU A 65 4.489 10.177 -9.138 1.00 0.00 N ATOM 996 CA LEU A 65 3.983 9.097 -8.281 1.00 0.00 C ATOM 997 C LEU A 65 4.376 7.720 -8.849 1.00 0.00 C ATOM 998 O LEU A 65 4.012 7.362 -9.969 1.00 0.00 O ATOM 999 CB LEU A 65 2.468 9.321 -8.087 1.00 0.00 C ATOM 1000 CG LEU A 65 1.566 8.098 -7.843 1.00 0.00 C ATOM 1001 CD1 LEU A 65 1.927 7.235 -6.637 1.00 0.00 C ATOM 1002 CD2 LEU A 65 0.136 8.576 -7.603 1.00 0.00 C ATOM 0 H LEU A 65 3.989 10.225 -10.026 1.00 0.00 H new ATOM 0 HA LEU A 65 4.440 9.113 -7.292 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.339 10.000 -7.244 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.094 9.836 -8.972 1.00 0.00 H new ATOM 0 HG LEU A 65 1.695 7.485 -8.735 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.226 6.404 -6.562 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.939 6.847 -6.757 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.874 7.837 -5.730 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.511 7.716 -7.429 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.112 9.230 -6.731 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.216 9.124 -8.477 1.00 0.00 H new ATOM 1014 N ASP A 66 5.147 6.962 -8.066 1.00 0.00 N ATOM 1015 CA ASP A 66 5.749 5.671 -8.411 1.00 0.00 C ATOM 1016 C ASP A 66 5.028 4.489 -7.724 1.00 0.00 C ATOM 1017 O ASP A 66 5.063 4.353 -6.497 1.00 0.00 O ATOM 1018 CB ASP A 66 7.242 5.724 -8.040 1.00 0.00 C ATOM 1019 CG ASP A 66 8.087 4.906 -9.020 1.00 0.00 C ATOM 1020 OD1 ASP A 66 7.994 3.657 -9.015 1.00 0.00 O ATOM 1021 OD2 ASP A 66 8.829 5.534 -9.814 1.00 0.00 O ATOM 0 H ASP A 66 5.382 7.250 -7.116 1.00 0.00 H new ATOM 0 HA ASP A 66 5.641 5.496 -9.481 1.00 0.00 H new ATOM 0 HB2 ASP A 66 7.582 6.759 -8.039 1.00 0.00 H new ATOM 0 HB3 ASP A 66 7.382 5.342 -7.029 1.00 0.00 H new ATOM 1026 N ILE A 67 4.329 3.652 -8.500 1.00 0.00 N ATOM 1027 CA ILE A 67 3.545 2.509 -8.000 1.00 0.00 C ATOM 1028 C ILE A 67 4.368 1.212 -7.974 1.00 0.00 C ATOM 1029 O ILE A 67 4.610 0.590 -9.014 1.00 0.00 O ATOM 1030 CB ILE A 67 2.240 2.313 -8.803 1.00 0.00 C ATOM 1031 CG1 ILE A 67 1.391 3.603 -8.917 1.00 0.00 C ATOM 1032 CG2 ILE A 67 1.405 1.205 -8.131 1.00 0.00 C ATOM 1033 CD1 ILE A 67 1.574 4.308 -10.266 1.00 0.00 C ATOM 0 H ILE A 67 4.290 3.750 -9.515 1.00 0.00 H new ATOM 0 HA ILE A 67 3.273 2.748 -6.972 1.00 0.00 H new ATOM 0 HB ILE A 67 2.522 2.035 -9.819 1.00 0.00 H new ATOM 0 HG12 ILE A 67 0.338 3.355 -8.780 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.665 4.287 -8.113 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.480 1.057 -8.689 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.975 0.276 -8.120 1.00 0.00 H new ATOM 0 HG23 ILE A 67 1.168 1.497 -7.108 1.00 0.00 H new ATOM 0 HD11 ILE A 67 0.957 5.206 -10.294 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.621 4.583 -10.394 1.00 0.00 H new ATOM 0 HD13 ILE A 67 1.274 3.637 -11.071 1.00 0.00 H new ATOM 1045 N VAL A 68 4.743 0.770 -6.773 1.00 0.00 N ATOM 1046 CA VAL A 68 5.235 -0.586 -6.488 1.00 0.00 C ATOM 1047 C VAL A 68 4.078 -1.589 -6.542 1.00 0.00 C ATOM 1048 O VAL A 68 3.086 -1.467 -5.820 1.00 0.00 O ATOM 1049 CB VAL A 68 5.941 -0.653 -5.117 1.00 0.00 C ATOM 1050 CG1 VAL A 68 6.488 -2.056 -4.821 1.00 0.00 C ATOM 1051 CG2 VAL A 68 7.131 0.315 -5.086 1.00 0.00 C ATOM 0 H VAL A 68 4.713 1.362 -5.943 1.00 0.00 H new ATOM 0 HA VAL A 68 5.968 -0.846 -7.252 1.00 0.00 H new ATOM 0 HB VAL A 68 5.194 -0.387 -4.369 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.977 -2.058 -3.847 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.667 -2.773 -4.817 1.00 0.00 H new ATOM 0 HG13 VAL A 68 7.209 -2.335 -5.589 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.621 0.259 -4.114 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.842 0.043 -5.867 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.777 1.332 -5.256 1.00 0.00 H new ATOM 1061 N ASP A 69 4.212 -2.590 -7.410 1.00 0.00 N ATOM 1062 CA ASP A 69 3.353 -3.780 -7.462 1.00 0.00 C ATOM 1063 C ASP A 69 3.647 -4.704 -6.262 1.00 0.00 C ATOM 1064 O ASP A 69 4.711 -5.325 -6.192 1.00 0.00 O ATOM 1065 CB ASP A 69 3.578 -4.494 -8.803 1.00 0.00 C ATOM 1066 CG ASP A 69 2.671 -5.725 -8.961 1.00 0.00 C ATOM 1067 OD1 ASP A 69 1.438 -5.545 -9.086 1.00 0.00 O ATOM 1068 OD2 ASP A 69 3.192 -6.865 -8.998 1.00 0.00 O ATOM 0 H ASP A 69 4.944 -2.599 -8.121 1.00 0.00 H new ATOM 0 HA ASP A 69 2.304 -3.492 -7.394 1.00 0.00 H new ATOM 0 HB2 ASP A 69 3.389 -3.798 -9.620 1.00 0.00 H new ATOM 0 HB3 ASP A 69 4.621 -4.800 -8.880 1.00 0.00 H new ATOM 1073 N GLU A 70 2.743 -4.753 -5.280 1.00 0.00 N ATOM 1074 CA GLU A 70 2.943 -5.466 -4.009 1.00 0.00 C ATOM 1075 C GLU A 70 2.321 -6.874 -4.013 1.00 0.00 C ATOM 1076 O GLU A 70 1.288 -7.123 -4.638 1.00 0.00 O ATOM 1077 CB GLU A 70 2.364 -4.635 -2.851 1.00 0.00 C ATOM 1078 CG GLU A 70 3.237 -3.450 -2.424 1.00 0.00 C ATOM 1079 CD GLU A 70 4.360 -3.899 -1.470 1.00 0.00 C ATOM 1080 OE1 GLU A 70 5.387 -4.443 -1.937 1.00 0.00 O ATOM 1081 OE2 GLU A 70 4.194 -3.722 -0.239 1.00 0.00 O ATOM 0 H GLU A 70 1.836 -4.292 -5.344 1.00 0.00 H new ATOM 0 HA GLU A 70 4.017 -5.595 -3.875 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.383 -4.261 -3.143 1.00 0.00 H new ATOM 0 HB3 GLU A 70 2.213 -5.288 -1.991 1.00 0.00 H new ATOM 0 HG2 GLU A 70 3.672 -2.979 -3.306 1.00 0.00 H new ATOM 0 HG3 GLU A 70 2.619 -2.698 -1.934 1.00 0.00 H new ATOM 1088 N LYS A 71 2.948 -7.801 -3.276 1.00 0.00 N ATOM 1089 CA LYS A 71 2.574 -9.224 -3.195 1.00 0.00 C ATOM 1090 C LYS A 71 1.374 -9.468 -2.264 1.00 0.00 C ATOM 1091 O LYS A 71 0.851 -8.533 -1.650 1.00 0.00 O ATOM 1092 CB LYS A 71 3.807 -10.060 -2.779 1.00 0.00 C ATOM 1093 CG LYS A 71 5.107 -9.765 -3.563 1.00 0.00 C ATOM 1094 CD LYS A 71 5.027 -9.811 -5.102 1.00 0.00 C ATOM 1095 CE LYS A 71 5.172 -11.205 -5.730 1.00 0.00 C ATOM 1096 NZ LYS A 71 3.973 -12.060 -5.541 1.00 0.00 N ATOM 0 H LYS A 71 3.758 -7.575 -2.699 1.00 0.00 H new ATOM 0 HA LYS A 71 2.247 -9.546 -4.184 1.00 0.00 H new ATOM 0 HB2 LYS A 71 3.997 -9.892 -1.719 1.00 0.00 H new ATOM 0 HB3 LYS A 71 3.564 -11.116 -2.896 1.00 0.00 H new ATOM 0 HG2 LYS A 71 5.460 -8.775 -3.272 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.865 -10.480 -3.242 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.070 -9.390 -5.411 1.00 0.00 H new ATOM 0 HD3 LYS A 71 5.806 -9.166 -5.508 1.00 0.00 H new ATOM 0 HE2 LYS A 71 5.369 -11.097 -6.797 1.00 0.00 H new ATOM 0 HE3 LYS A 71 6.038 -11.704 -5.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 3.906 -12.742 -6.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 4.051 -12.574 -4.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 3.121 -11.464 -5.527 1.00 0.00 H new ATOM 1110 N VAL A 72 0.954 -10.729 -2.136 1.00 0.00 N ATOM 1111 CA VAL A 72 -0.130 -11.186 -1.247 1.00 0.00 C ATOM 1112 C VAL A 72 0.424 -12.062 -0.118 1.00 0.00 C ATOM 1113 O VAL A 72 1.305 -12.892 -0.347 1.00 0.00 O ATOM 1114 CB VAL A 72 -1.210 -11.956 -2.034 1.00 0.00 C ATOM 1115 CG1 VAL A 72 -2.445 -12.246 -1.172 1.00 0.00 C ATOM 1116 CG2 VAL A 72 -1.690 -11.171 -3.258 1.00 0.00 C ATOM 0 H VAL A 72 1.372 -11.493 -2.667 1.00 0.00 H new ATOM 0 HA VAL A 72 -0.591 -10.301 -0.809 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.736 -12.888 -2.343 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.182 -12.790 -1.763 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -2.155 -12.848 -0.311 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -2.877 -11.306 -0.828 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -2.450 -11.748 -3.785 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -2.114 -10.220 -2.937 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -0.848 -10.986 -3.925 1.00 0.00 H new ATOM 1126 N GLU A 73 -0.104 -11.901 1.096 1.00 0.00 N ATOM 1127 CA GLU A 73 0.316 -12.627 2.304 1.00 0.00 C ATOM 1128 C GLU A 73 -0.873 -12.962 3.227 1.00 0.00 C ATOM 1129 O GLU A 73 -1.749 -12.125 3.473 1.00 0.00 O ATOM 1130 CB GLU A 73 1.365 -11.790 3.060 1.00 0.00 C ATOM 1131 CG GLU A 73 2.417 -12.651 3.766 1.00 0.00 C ATOM 1132 CD GLU A 73 3.570 -13.059 2.826 1.00 0.00 C ATOM 1133 OE1 GLU A 73 4.430 -12.199 2.510 1.00 0.00 O ATOM 1134 OE2 GLU A 73 3.649 -14.245 2.429 1.00 0.00 O ATOM 0 H GLU A 73 -0.861 -11.241 1.276 1.00 0.00 H new ATOM 0 HA GLU A 73 0.751 -13.577 1.994 1.00 0.00 H new ATOM 0 HB2 GLU A 73 1.862 -11.120 2.359 1.00 0.00 H new ATOM 0 HB3 GLU A 73 0.861 -11.164 3.796 1.00 0.00 H new ATOM 0 HG2 GLU A 73 2.822 -12.101 4.616 1.00 0.00 H new ATOM 0 HG3 GLU A 73 1.941 -13.548 4.164 1.00 0.00 H new ATOM 1141 N LEU A 74 -0.888 -14.192 3.751 1.00 0.00 N ATOM 1142 CA LEU A 74 -1.954 -14.795 4.556 1.00 0.00 C ATOM 1143 C LEU A 74 -1.494 -14.990 6.007 1.00 0.00 C ATOM 1144 O LEU A 74 -0.601 -15.790 6.290 1.00 0.00 O ATOM 1145 CB LEU A 74 -2.370 -16.150 3.932 1.00 0.00 C ATOM 1146 CG LEU A 74 -3.422 -16.125 2.809 1.00 0.00 C ATOM 1147 CD1 LEU A 74 -4.814 -15.837 3.364 1.00 0.00 C ATOM 1148 CD2 LEU A 74 -3.125 -15.118 1.701 1.00 0.00 C ATOM 0 H LEU A 74 -0.106 -14.833 3.615 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.814 -14.125 4.564 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.473 -16.629 3.541 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.748 -16.786 4.732 1.00 0.00 H new ATOM 0 HG LEU A 74 -3.381 -17.121 2.369 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.536 -15.826 2.548 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -5.088 -16.612 4.080 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.814 -14.867 3.862 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -3.912 -15.162 0.949 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.083 -14.114 2.124 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.168 -15.358 1.239 1.00 0.00 H new ATOM 1160 N GLU A 75 -2.106 -14.248 6.928 1.00 0.00 N ATOM 1161 CA GLU A 75 -1.894 -14.346 8.376 1.00 0.00 C ATOM 1162 C GLU A 75 -2.909 -15.296 9.028 1.00 0.00 C ATOM 1163 O GLU A 75 -4.060 -15.359 8.590 1.00 0.00 O ATOM 1164 CB GLU A 75 -2.068 -12.948 8.997 1.00 0.00 C ATOM 1165 CG GLU A 75 -0.978 -12.666 10.029 1.00 0.00 C ATOM 1166 CD GLU A 75 -1.196 -11.349 10.802 1.00 0.00 C ATOM 1167 OE1 GLU A 75 -2.308 -11.116 11.337 1.00 0.00 O ATOM 1168 OE2 GLU A 75 -0.234 -10.551 10.922 1.00 0.00 O ATOM 0 H GLU A 75 -2.790 -13.534 6.679 1.00 0.00 H new ATOM 0 HA GLU A 75 -0.891 -14.735 8.550 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -2.035 -12.192 8.213 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -3.048 -12.876 9.469 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -0.936 -13.493 10.738 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -0.012 -12.628 9.526 1.00 0.00 H new ATOM 1175 N CYS A 76 -2.522 -15.969 10.117 1.00 0.00 N ATOM 1176 CA CYS A 76 -3.424 -16.768 10.950 1.00 0.00 C ATOM 1177 C CYS A 76 -3.930 -15.975 12.177 1.00 0.00 C ATOM 1178 O CYS A 76 -3.179 -15.226 12.812 1.00 0.00 O ATOM 1179 CB CYS A 76 -2.687 -18.051 11.340 1.00 0.00 C ATOM 1180 SG CYS A 76 -3.890 -19.356 11.738 1.00 0.00 S ATOM 0 H CYS A 76 -1.557 -15.973 10.449 1.00 0.00 H new ATOM 0 HA CYS A 76 -4.323 -17.025 10.390 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -2.043 -18.374 10.522 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -2.042 -17.864 12.199 1.00 0.00 H new ATOM 0 HG CYS A 76 -3.383 -20.156 12.628 1.00 0.00 H new ATOM 1185 N LYS A 77 -5.217 -16.147 12.503 1.00 0.00 N ATOM 1186 CA LYS A 77 -6.008 -15.403 13.501 1.00 0.00 C ATOM 1187 C LYS A 77 -5.421 -15.392 14.918 1.00 0.00 C ATOM 1188 O LYS A 77 -4.998 -14.347 15.412 1.00 0.00 O ATOM 1189 CB LYS A 77 -7.434 -15.988 13.508 1.00 0.00 C ATOM 1190 CG LYS A 77 -8.254 -15.597 12.269 1.00 0.00 C ATOM 1191 CD LYS A 77 -9.140 -14.364 12.484 1.00 0.00 C ATOM 1192 CE LYS A 77 -8.393 -13.101 12.939 1.00 0.00 C ATOM 1193 NZ LYS A 77 -9.312 -11.939 13.067 1.00 0.00 N ATOM 0 H LYS A 77 -5.779 -16.864 12.043 1.00 0.00 H new ATOM 0 HA LYS A 77 -6.001 -14.355 13.200 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -7.374 -17.075 13.568 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -7.955 -15.648 14.403 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -7.574 -15.405 11.439 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -8.882 -16.439 11.978 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -9.663 -14.144 11.553 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -9.900 -14.606 13.227 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -7.908 -13.289 13.897 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -7.605 -12.866 12.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -8.775 -11.104 13.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -9.756 -11.744 12.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -10.049 -12.155 13.768 1.00 0.00 H new ATOM 1207 N ASP A 78 -5.456 -16.540 15.587 1.00 0.00 N ATOM 1208 CA ASP A 78 -5.207 -16.737 17.025 1.00 0.00 C ATOM 1209 C ASP A 78 -3.909 -17.531 17.302 1.00 0.00 C ATOM 1210 O ASP A 78 -3.765 -18.215 18.320 1.00 0.00 O ATOM 1211 CB ASP A 78 -6.464 -17.369 17.647 1.00 0.00 C ATOM 1212 CG ASP A 78 -6.682 -18.845 17.260 1.00 0.00 C ATOM 1213 OD1 ASP A 78 -6.750 -19.148 16.045 1.00 0.00 O ATOM 1214 OD2 ASP A 78 -6.843 -19.696 18.170 1.00 0.00 O ATOM 0 H ASP A 78 -5.672 -17.419 15.116 1.00 0.00 H new ATOM 0 HA ASP A 78 -5.028 -15.774 17.504 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -6.396 -17.295 18.732 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -7.337 -16.792 17.342 1.00 0.00 H new ATOM 1219 N CYS A 79 -2.981 -17.454 16.348 1.00 0.00 N ATOM 1220 CA CYS A 79 -1.858 -18.344 16.097 1.00 0.00 C ATOM 1221 C CYS A 79 -0.516 -17.609 16.302 1.00 0.00 C ATOM 1222 O CYS A 79 -0.403 -16.710 17.142 1.00 0.00 O ATOM 1223 CB CYS A 79 -2.086 -18.748 14.644 1.00 0.00 C ATOM 1224 SG CYS A 79 -1.284 -20.295 14.092 1.00 0.00 S ATOM 0 H CYS A 79 -3.003 -16.693 15.669 1.00 0.00 H new ATOM 0 HA CYS A 79 -1.804 -19.200 16.770 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -3.160 -18.843 14.481 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -1.737 -17.936 14.005 1.00 0.00 H new ATOM 0 HG CYS A 79 -2.194 -21.187 13.834 1.00 0.00 H new ATOM 1229 N SER A 80 0.499 -17.975 15.510 1.00 0.00 N ATOM 1230 CA SER A 80 1.778 -17.249 15.428 1.00 0.00 C ATOM 1231 C SER A 80 2.533 -17.531 14.114 1.00 0.00 C ATOM 1232 O SER A 80 3.743 -17.776 14.110 1.00 0.00 O ATOM 1233 CB SER A 80 2.638 -17.554 16.672 1.00 0.00 C ATOM 1234 OG SER A 80 3.579 -16.520 16.921 1.00 0.00 O ATOM 0 H SER A 80 0.458 -18.792 14.900 1.00 0.00 H new ATOM 0 HA SER A 80 1.559 -16.181 15.416 1.00 0.00 H new ATOM 0 HB2 SER A 80 1.992 -17.676 17.541 1.00 0.00 H new ATOM 0 HB3 SER A 80 3.163 -18.499 16.530 1.00 0.00 H new ATOM 0 HG SER A 80 4.107 -16.743 17.716 1.00 0.00 H new ATOM 1240 N HIS A 81 1.817 -17.562 12.982 1.00 0.00 N ATOM 1241 CA HIS A 81 2.389 -17.894 11.671 1.00 0.00 C ATOM 1242 C HIS A 81 1.734 -17.138 10.494 1.00 0.00 C ATOM 1243 O HIS A 81 0.592 -16.675 10.581 1.00 0.00 O ATOM 1244 CB HIS A 81 2.312 -19.419 11.494 1.00 0.00 C ATOM 1245 CG HIS A 81 3.015 -19.900 10.256 1.00 0.00 C ATOM 1246 ND1 HIS A 81 4.364 -19.796 9.990 1.00 0.00 N ATOM 1247 CD2 HIS A 81 2.406 -20.416 9.149 1.00 0.00 C ATOM 1248 CE1 HIS A 81 4.565 -20.235 8.735 1.00 0.00 C ATOM 1249 NE2 HIS A 81 3.400 -20.618 8.186 1.00 0.00 N ATOM 0 H HIS A 81 0.818 -17.356 12.950 1.00 0.00 H new ATOM 0 HA HIS A 81 3.427 -17.562 11.652 1.00 0.00 H new ATOM 0 HB2 HIS A 81 2.751 -19.904 12.366 1.00 0.00 H new ATOM 0 HB3 HIS A 81 1.266 -19.723 11.453 1.00 0.00 H new ATOM 0 HD1 HIS A 81 5.079 -19.449 10.629 1.00 0.00 H new ATOM 0 HD2 HIS A 81 1.353 -20.629 9.037 1.00 0.00 H new ATOM 0 HE1 HIS A 81 5.524 -20.274 8.240 1.00 0.00 H new ATOM 1257 N VAL A 82 2.485 -17.011 9.391 1.00 0.00 N ATOM 1258 CA VAL A 82 2.168 -16.260 8.165 1.00 0.00 C ATOM 1259 C VAL A 82 2.772 -16.978 6.945 1.00 0.00 C ATOM 1260 O VAL A 82 3.943 -17.367 6.989 1.00 0.00 O ATOM 1261 CB VAL A 82 2.750 -14.828 8.245 1.00 0.00 C ATOM 1262 CG1 VAL A 82 2.155 -13.953 7.143 1.00 0.00 C ATOM 1263 CG2 VAL A 82 2.498 -14.124 9.585 1.00 0.00 C ATOM 0 H VAL A 82 3.397 -17.463 9.326 1.00 0.00 H new ATOM 0 HA VAL A 82 1.084 -16.203 8.064 1.00 0.00 H new ATOM 0 HB VAL A 82 3.827 -14.951 8.129 1.00 0.00 H new ATOM 0 HG11 VAL A 82 2.573 -12.948 7.211 1.00 0.00 H new ATOM 0 HG12 VAL A 82 2.395 -14.381 6.170 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.073 -13.905 7.262 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.937 -13.127 9.560 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.425 -14.044 9.758 1.00 0.00 H new ATOM 0 HG23 VAL A 82 2.953 -14.701 10.390 1.00 0.00 H new ATOM 1273 N PHE A 83 2.016 -17.141 5.852 1.00 0.00 N ATOM 1274 CA PHE A 83 2.468 -17.803 4.612 1.00 0.00 C ATOM 1275 C PHE A 83 1.902 -17.166 3.321 1.00 0.00 C ATOM 1276 O PHE A 83 1.099 -16.229 3.370 1.00 0.00 O ATOM 1277 CB PHE A 83 2.170 -19.316 4.704 1.00 0.00 C ATOM 1278 CG PHE A 83 0.702 -19.684 4.843 1.00 0.00 C ATOM 1279 CD1 PHE A 83 -0.143 -19.663 3.720 1.00 0.00 C ATOM 1280 CD2 PHE A 83 0.174 -20.053 6.093 1.00 0.00 C ATOM 1281 CE1 PHE A 83 -1.502 -19.986 3.836 1.00 0.00 C ATOM 1282 CE2 PHE A 83 -1.194 -20.341 6.220 1.00 0.00 C ATOM 1283 CZ PHE A 83 -2.032 -20.327 5.090 1.00 0.00 C ATOM 0 H PHE A 83 1.052 -16.811 5.799 1.00 0.00 H new ATOM 0 HA PHE A 83 3.545 -17.655 4.531 1.00 0.00 H new ATOM 0 HB2 PHE A 83 2.566 -19.802 3.812 1.00 0.00 H new ATOM 0 HB3 PHE A 83 2.712 -19.725 5.557 1.00 0.00 H new ATOM 0 HD1 PHE A 83 0.260 -19.394 2.755 1.00 0.00 H new ATOM 0 HD2 PHE A 83 0.821 -20.115 6.955 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -2.139 -19.973 2.964 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -1.606 -20.575 7.191 1.00 0.00 H new ATOM 0 HZ PHE A 83 -3.078 -20.577 5.187 1.00 0.00 H new ATOM 1293 N LYS A 84 2.310 -17.685 2.151 1.00 0.00 N ATOM 1294 CA LYS A 84 1.891 -17.237 0.804 1.00 0.00 C ATOM 1295 C LYS A 84 0.746 -18.097 0.229 1.00 0.00 C ATOM 1296 O LYS A 84 0.755 -19.315 0.424 1.00 0.00 O ATOM 1297 CB LYS A 84 3.108 -17.206 -0.147 1.00 0.00 C ATOM 1298 CG LYS A 84 3.771 -18.579 -0.389 1.00 0.00 C ATOM 1299 CD LYS A 84 5.011 -18.539 -1.299 1.00 0.00 C ATOM 1300 CE LYS A 84 4.702 -18.478 -2.806 1.00 0.00 C ATOM 1301 NZ LYS A 84 4.431 -17.100 -3.298 1.00 0.00 N ATOM 0 H LYS A 84 2.969 -18.462 2.112 1.00 0.00 H new ATOM 0 HA LYS A 84 1.495 -16.226 0.898 1.00 0.00 H new ATOM 0 HB2 LYS A 84 2.792 -16.796 -1.106 1.00 0.00 H new ATOM 0 HB3 LYS A 84 3.854 -16.524 0.261 1.00 0.00 H new ATOM 0 HG2 LYS A 84 4.056 -19.005 0.573 1.00 0.00 H new ATOM 0 HG3 LYS A 84 3.035 -19.251 -0.830 1.00 0.00 H new ATOM 0 HD2 LYS A 84 5.614 -17.672 -1.030 1.00 0.00 H new ATOM 0 HD3 LYS A 84 5.618 -19.423 -1.102 1.00 0.00 H new ATOM 0 HE2 LYS A 84 5.544 -18.894 -3.359 1.00 0.00 H new ATOM 0 HE3 LYS A 84 3.838 -19.108 -3.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 4.679 -17.036 -4.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 3.422 -16.880 -3.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 5.003 -16.420 -2.757 1.00 0.00 H new ATOM 1315 N PRO A 85 -0.219 -17.517 -0.510 1.00 0.00 N ATOM 1316 CA PRO A 85 -1.345 -18.265 -1.074 1.00 0.00 C ATOM 1317 C PRO A 85 -0.886 -19.188 -2.218 1.00 0.00 C ATOM 1318 O PRO A 85 -0.508 -18.718 -3.294 1.00 0.00 O ATOM 1319 CB PRO A 85 -2.355 -17.203 -1.520 1.00 0.00 C ATOM 1320 CG PRO A 85 -1.492 -15.980 -1.828 1.00 0.00 C ATOM 1321 CD PRO A 85 -0.305 -16.108 -0.871 1.00 0.00 C ATOM 0 HA PRO A 85 -1.800 -18.940 -0.349 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -2.915 -17.528 -2.397 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -3.083 -16.991 -0.737 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -1.166 -15.974 -2.868 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -2.040 -15.053 -1.661 1.00 0.00 H new ATOM 0 HD2 PRO A 85 0.616 -15.772 -1.347 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -0.451 -15.488 0.014 1.00 0.00 H new ATOM 1329 N ASN A 86 -0.883 -20.504 -1.975 1.00 0.00 N ATOM 1330 CA ASN A 86 -0.394 -21.527 -2.909 1.00 0.00 C ATOM 1331 C ASN A 86 -1.335 -22.747 -2.994 1.00 0.00 C ATOM 1332 O ASN A 86 -1.958 -22.970 -4.034 1.00 0.00 O ATOM 1333 CB ASN A 86 1.056 -21.887 -2.533 1.00 0.00 C ATOM 1334 CG ASN A 86 1.704 -22.716 -3.627 1.00 0.00 C ATOM 1335 OD1 ASN A 86 2.234 -22.197 -4.600 1.00 0.00 O ATOM 1336 ND2 ASN A 86 1.661 -24.024 -3.532 1.00 0.00 N ATOM 0 H ASN A 86 -1.230 -20.898 -1.100 1.00 0.00 H new ATOM 0 HA ASN A 86 -0.392 -21.124 -3.922 1.00 0.00 H new ATOM 0 HB2 ASN A 86 1.632 -20.976 -2.371 1.00 0.00 H new ATOM 0 HB3 ASN A 86 1.067 -22.442 -1.595 1.00 0.00 H new ATOM 0 HD21 ASN A 86 2.068 -24.602 -4.267 1.00 0.00 H new ATOM 0 HD22 ASN A 86 1.221 -24.462 -2.723 1.00 0.00 H new ATOM 1405 N GLY A 91 -4.847 -26.383 1.995 1.00 0.00 N ATOM 1406 CA GLY A 91 -4.511 -24.966 2.228 1.00 0.00 C ATOM 1407 C GLY A 91 -4.694 -24.473 3.673 1.00 0.00 C ATOM 1408 O GLY A 91 -4.914 -23.283 3.899 1.00 0.00 O ATOM 0 HA2 GLY A 91 -3.474 -24.803 1.935 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -5.127 -24.352 1.572 1.00 0.00 H new ATOM 1412 N VAL A 92 -4.654 -25.386 4.645 1.00 0.00 N ATOM 1413 CA VAL A 92 -4.646 -25.111 6.093 1.00 0.00 C ATOM 1414 C VAL A 92 -3.358 -24.399 6.549 1.00 0.00 C ATOM 1415 O VAL A 92 -2.340 -24.427 5.850 1.00 0.00 O ATOM 1416 CB VAL A 92 -4.832 -26.414 6.897 1.00 0.00 C ATOM 1417 CG1 VAL A 92 -6.268 -26.938 6.793 1.00 0.00 C ATOM 1418 CG2 VAL A 92 -3.892 -27.540 6.449 1.00 0.00 C ATOM 0 H VAL A 92 -4.625 -26.385 4.441 1.00 0.00 H new ATOM 0 HA VAL A 92 -5.483 -24.440 6.288 1.00 0.00 H new ATOM 0 HB VAL A 92 -4.594 -26.144 7.926 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -6.363 -27.857 7.371 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -6.957 -26.190 7.185 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -6.507 -27.140 5.749 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -4.074 -28.428 7.054 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -4.076 -27.772 5.400 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.857 -27.221 6.574 1.00 0.00 H new ATOM 1428 N CYS A 93 -3.389 -23.786 7.738 1.00 0.00 N ATOM 1429 CA CYS A 93 -2.213 -23.201 8.389 1.00 0.00 C ATOM 1430 C CYS A 93 -1.174 -24.284 8.764 1.00 0.00 C ATOM 1431 O CYS A 93 -1.500 -25.450 9.023 1.00 0.00 O ATOM 1432 CB CYS A 93 -2.704 -22.293 9.536 1.00 0.00 C ATOM 1433 SG CYS A 93 -1.471 -21.927 10.839 1.00 0.00 S ATOM 0 H CYS A 93 -4.245 -23.681 8.282 1.00 0.00 H new ATOM 0 HA CYS A 93 -1.650 -22.561 7.710 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -3.045 -21.350 9.108 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -3.570 -22.763 10.002 1.00 0.00 H new ATOM 0 HG CYS A 93 -1.936 -21.007 11.630 1.00 0.00 H new ATOM 1438 N GLU A 94 0.108 -23.905 8.717 1.00 0.00 N ATOM 1439 CA GLU A 94 1.241 -24.811 8.936 1.00 0.00 C ATOM 1440 C GLU A 94 1.279 -25.350 10.373 1.00 0.00 C ATOM 1441 O GLU A 94 1.506 -26.543 10.592 1.00 0.00 O ATOM 1442 CB GLU A 94 2.570 -24.101 8.643 1.00 0.00 C ATOM 1443 CG GLU A 94 2.789 -23.791 7.159 1.00 0.00 C ATOM 1444 CD GLU A 94 3.075 -25.067 6.341 1.00 0.00 C ATOM 1445 OE1 GLU A 94 4.242 -25.532 6.326 1.00 0.00 O ATOM 1446 OE2 GLU A 94 2.143 -25.614 5.705 1.00 0.00 O ATOM 0 H GLU A 94 0.392 -22.945 8.523 1.00 0.00 H new ATOM 0 HA GLU A 94 1.105 -25.648 8.252 1.00 0.00 H new ATOM 0 HB2 GLU A 94 2.607 -23.170 9.209 1.00 0.00 H new ATOM 0 HB3 GLU A 94 3.391 -24.723 9.000 1.00 0.00 H new ATOM 0 HG2 GLU A 94 1.906 -23.293 6.758 1.00 0.00 H new ATOM 0 HG3 GLU A 94 3.623 -23.097 7.052 1.00 0.00 H new ATOM 1453 N LYS A 95 1.068 -24.458 11.350 1.00 0.00 N ATOM 1454 CA LYS A 95 0.986 -24.787 12.781 1.00 0.00 C ATOM 1455 C LYS A 95 -0.341 -25.458 13.143 1.00 0.00 C ATOM 1456 O LYS A 95 -0.337 -26.546 13.722 1.00 0.00 O ATOM 1457 CB LYS A 95 1.165 -23.533 13.643 1.00 0.00 C ATOM 1458 CG LYS A 95 2.555 -22.900 13.498 1.00 0.00 C ATOM 1459 CD LYS A 95 2.766 -21.823 14.570 1.00 0.00 C ATOM 1460 CE LYS A 95 3.051 -22.463 15.939 1.00 0.00 C ATOM 1461 NZ LYS A 95 3.295 -21.445 16.993 1.00 0.00 N ATOM 0 H LYS A 95 0.946 -23.463 11.163 1.00 0.00 H new ATOM 0 HA LYS A 95 1.794 -25.490 12.983 1.00 0.00 H new ATOM 0 HB2 LYS A 95 0.407 -22.799 13.369 1.00 0.00 H new ATOM 0 HB3 LYS A 95 0.996 -23.790 14.689 1.00 0.00 H new ATOM 0 HG2 LYS A 95 3.323 -23.668 13.589 1.00 0.00 H new ATOM 0 HG3 LYS A 95 2.660 -22.460 12.506 1.00 0.00 H new ATOM 0 HD2 LYS A 95 3.597 -21.178 14.285 1.00 0.00 H new ATOM 0 HD3 LYS A 95 1.880 -21.191 14.636 1.00 0.00 H new ATOM 0 HE2 LYS A 95 2.207 -23.089 16.229 1.00 0.00 H new ATOM 0 HE3 LYS A 95 3.920 -23.117 15.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 3.483 -21.921 17.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 4.116 -20.864 16.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 2.457 -20.837 17.089 1.00 0.00 H new ATOM 1475 N CYS A 96 -1.455 -24.788 12.835 1.00 0.00 N ATOM 1476 CA CYS A 96 -2.810 -25.174 13.234 1.00 0.00 C ATOM 1477 C CYS A 96 -3.682 -25.574 12.017 1.00 0.00 C ATOM 1478 O CYS A 96 -3.810 -24.840 11.040 1.00 0.00 O ATOM 1479 CB CYS A 96 -3.386 -24.092 14.174 1.00 0.00 C ATOM 1480 SG CYS A 96 -4.004 -22.608 13.368 1.00 0.00 S ATOM 0 H CYS A 96 -1.437 -23.932 12.281 1.00 0.00 H new ATOM 0 HA CYS A 96 -2.797 -26.093 13.819 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -4.197 -24.534 14.752 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -2.610 -23.802 14.883 1.00 0.00 H new ATOM 0 HG CYS A 96 -3.180 -22.249 12.429 1.00 0.00 H new ATOM 1485 N HIS A 97 -4.235 -26.791 12.022 1.00 0.00 N ATOM 1486 CA HIS A 97 -4.874 -27.378 10.834 1.00 0.00 C ATOM 1487 C HIS A 97 -6.307 -26.855 10.586 1.00 0.00 C ATOM 1488 O HIS A 97 -7.295 -27.588 10.695 1.00 0.00 O ATOM 1489 CB HIS A 97 -4.808 -28.910 10.892 1.00 0.00 C ATOM 1490 CG HIS A 97 -3.429 -29.469 11.157 1.00 0.00 C ATOM 1491 ND1 HIS A 97 -3.099 -30.362 12.155 1.00 0.00 N ATOM 1492 CD2 HIS A 97 -2.285 -29.186 10.459 1.00 0.00 C ATOM 1493 CE1 HIS A 97 -1.783 -30.617 12.062 1.00 0.00 C ATOM 1494 NE2 HIS A 97 -1.246 -29.925 11.040 1.00 0.00 N ATOM 0 H HIS A 97 -4.254 -27.396 12.843 1.00 0.00 H new ATOM 0 HA HIS A 97 -4.304 -27.047 9.966 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -5.484 -29.261 11.672 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -5.174 -29.313 9.948 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -2.200 -28.516 9.616 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -1.235 -31.282 12.714 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -0.270 -29.936 10.745 1.00 0.00 H new ATOM 1502 N SER A 98 -6.421 -25.575 10.230 1.00 0.00 N ATOM 1503 CA SER A 98 -7.651 -24.898 9.799 1.00 0.00 C ATOM 1504 C SER A 98 -7.351 -23.849 8.717 1.00 0.00 C ATOM 1505 O SER A 98 -6.198 -23.464 8.510 1.00 0.00 O ATOM 1506 CB SER A 98 -8.338 -24.267 11.017 1.00 0.00 C ATOM 1507 OG SER A 98 -9.595 -23.720 10.650 1.00 0.00 O ATOM 0 H SER A 98 -5.617 -24.947 10.234 1.00 0.00 H new ATOM 0 HA SER A 98 -8.327 -25.630 9.356 1.00 0.00 H new ATOM 0 HB2 SER A 98 -8.475 -25.018 11.795 1.00 0.00 H new ATOM 0 HB3 SER A 98 -7.703 -23.486 11.436 1.00 0.00 H new ATOM 0 HG SER A 98 -10.022 -23.323 11.438 1.00 0.00 H new ATOM 1513 N LYS A 99 -8.391 -23.390 8.010 1.00 0.00 N ATOM 1514 CA LYS A 99 -8.337 -22.424 6.890 1.00 0.00 C ATOM 1515 C LYS A 99 -8.822 -21.023 7.301 1.00 0.00 C ATOM 1516 O LYS A 99 -9.222 -20.219 6.460 1.00 0.00 O ATOM 1517 CB LYS A 99 -9.094 -22.988 5.669 1.00 0.00 C ATOM 1518 CG LYS A 99 -8.536 -24.349 5.220 1.00 0.00 C ATOM 1519 CD LYS A 99 -9.129 -24.810 3.883 1.00 0.00 C ATOM 1520 CE LYS A 99 -8.605 -26.214 3.563 1.00 0.00 C ATOM 1521 NZ LYS A 99 -9.095 -26.705 2.252 1.00 0.00 N ATOM 0 H LYS A 99 -9.344 -23.694 8.209 1.00 0.00 H new ATOM 0 HA LYS A 99 -7.294 -22.291 6.602 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -10.151 -23.093 5.915 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -9.028 -22.279 4.843 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -7.452 -24.283 5.130 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -8.747 -25.096 5.985 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -10.218 -24.818 3.937 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -8.854 -24.115 3.089 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -7.515 -26.202 3.561 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -8.915 -26.904 4.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -8.717 -27.658 2.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -10.134 -26.741 2.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -8.778 -26.061 1.499 1.00 0.00 H new ATOM 1535 N ASN A 100 -8.791 -20.728 8.603 1.00 0.00 N ATOM 1536 CA ASN A 100 -9.228 -19.471 9.232 1.00 0.00 C ATOM 1537 C ASN A 100 -8.391 -18.221 8.861 1.00 0.00 C ATOM 1538 O ASN A 100 -8.694 -17.121 9.327 1.00 0.00 O ATOM 1539 CB ASN A 100 -9.236 -19.686 10.757 1.00 0.00 C ATOM 1540 CG ASN A 100 -7.835 -19.864 11.328 1.00 0.00 C ATOM 1541 OD1 ASN A 100 -7.372 -20.972 11.541 1.00 0.00 O ATOM 1542 ND2 ASN A 100 -7.121 -18.786 11.551 1.00 0.00 N ATOM 0 H ASN A 100 -8.441 -21.396 9.289 1.00 0.00 H new ATOM 0 HA ASN A 100 -10.222 -19.248 8.845 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -9.716 -18.834 11.238 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -9.836 -20.565 10.994 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -6.168 -18.870 11.906 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -7.518 -17.864 11.369 1.00 0.00 H new ATOM 1549 N VAL A 101 -7.305 -18.386 8.103 1.00 0.00 N ATOM 1550 CA VAL A 101 -6.373 -17.328 7.683 1.00 0.00 C ATOM 1551 C VAL A 101 -7.045 -16.188 6.900 1.00 0.00 C ATOM 1552 O VAL A 101 -8.048 -16.397 6.210 1.00 0.00 O ATOM 1553 CB VAL A 101 -5.217 -17.921 6.851 1.00 0.00 C ATOM 1554 CG1 VAL A 101 -4.304 -18.789 7.719 1.00 0.00 C ATOM 1555 CG2 VAL A 101 -5.690 -18.779 5.665 1.00 0.00 C ATOM 0 H VAL A 101 -7.035 -19.303 7.747 1.00 0.00 H new ATOM 0 HA VAL A 101 -5.985 -16.891 8.603 1.00 0.00 H new ATOM 0 HB VAL A 101 -4.680 -17.057 6.459 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -3.498 -19.194 7.107 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -3.882 -18.184 8.521 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -4.881 -19.608 8.148 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -4.824 -19.163 5.125 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -6.286 -19.613 6.034 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -6.295 -18.170 4.994 1.00 0.00 H new ATOM 1565 N ILE A 102 -6.466 -14.984 6.971 1.00 0.00 N ATOM 1566 CA ILE A 102 -6.937 -13.769 6.284 1.00 0.00 C ATOM 1567 C ILE A 102 -5.804 -13.012 5.572 1.00 0.00 C ATOM 1568 O ILE A 102 -4.635 -13.110 5.948 1.00 0.00 O ATOM 1569 CB ILE A 102 -7.700 -12.822 7.243 1.00 0.00 C ATOM 1570 CG1 ILE A 102 -6.848 -12.226 8.392 1.00 0.00 C ATOM 1571 CG2 ILE A 102 -9.002 -13.465 7.752 1.00 0.00 C ATOM 1572 CD1 ILE A 102 -6.629 -13.099 9.636 1.00 0.00 C ATOM 0 H ILE A 102 -5.627 -14.820 7.527 1.00 0.00 H new ATOM 0 HA ILE A 102 -7.632 -14.113 5.517 1.00 0.00 H new ATOM 0 HB ILE A 102 -7.964 -11.957 6.635 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -5.870 -11.966 7.986 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -7.318 -11.296 8.712 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -9.512 -12.773 8.422 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -9.650 -13.694 6.906 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -8.768 -14.384 8.289 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -6.017 -12.558 10.357 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -7.592 -13.340 10.086 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -6.122 -14.020 9.349 1.00 0.00 H new ATOM 1584 N ILE A 103 -6.161 -12.221 4.554 1.00 0.00 N ATOM 1585 CA ILE A 103 -5.244 -11.357 3.803 1.00 0.00 C ATOM 1586 C ILE A 103 -4.796 -10.193 4.699 1.00 0.00 C ATOM 1587 O ILE A 103 -5.596 -9.308 5.011 1.00 0.00 O ATOM 1588 CB ILE A 103 -5.884 -10.827 2.487 1.00 0.00 C ATOM 1589 CG1 ILE A 103 -6.728 -11.829 1.680 1.00 0.00 C ATOM 1590 CG2 ILE A 103 -4.772 -10.219 1.620 1.00 0.00 C ATOM 1591 CD1 ILE A 103 -5.936 -13.038 1.220 1.00 0.00 C ATOM 0 H ILE A 103 -7.123 -12.163 4.221 1.00 0.00 H new ATOM 0 HA ILE A 103 -4.377 -11.950 3.512 1.00 0.00 H new ATOM 0 HB ILE A 103 -6.618 -10.081 2.792 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -7.567 -12.162 2.290 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -7.147 -11.324 0.810 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -5.200 -9.841 0.692 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -4.296 -9.400 2.160 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -4.029 -10.983 1.392 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -6.587 -13.707 0.657 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -5.112 -12.713 0.585 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -5.539 -13.564 2.088 1.00 0.00 H new ATOM 1603 N THR A 104 -3.528 -10.181 5.119 1.00 0.00 N ATOM 1604 CA THR A 104 -2.936 -9.044 5.859 1.00 0.00 C ATOM 1605 C THR A 104 -2.217 -8.062 4.925 1.00 0.00 C ATOM 1606 O THR A 104 -1.846 -6.957 5.323 1.00 0.00 O ATOM 1607 CB THR A 104 -2.015 -9.548 6.981 1.00 0.00 C ATOM 1608 OG1 THR A 104 -1.639 -8.498 7.849 1.00 0.00 O ATOM 1609 CG2 THR A 104 -0.746 -10.250 6.489 1.00 0.00 C ATOM 0 H THR A 104 -2.879 -10.952 4.961 1.00 0.00 H new ATOM 0 HA THR A 104 -3.751 -8.487 6.321 1.00 0.00 H new ATOM 0 HB THR A 104 -2.614 -10.289 7.510 1.00 0.00 H new ATOM 0 HG1 THR A 104 -1.515 -7.675 7.332 1.00 0.00 H new ATOM 0 HG21 THR A 104 -0.154 -10.573 7.345 1.00 0.00 H new ATOM 0 HG22 THR A 104 -1.020 -11.118 5.888 1.00 0.00 H new ATOM 0 HG23 THR A 104 -0.160 -9.559 5.883 1.00 0.00 H new ATOM 1617 N GLN A 105 -2.021 -8.474 3.672 1.00 0.00 N ATOM 1618 CA GLN A 105 -1.279 -7.783 2.624 1.00 0.00 C ATOM 1619 C GLN A 105 -1.732 -8.356 1.276 1.00 0.00 C ATOM 1620 O GLN A 105 -1.767 -9.572 1.117 1.00 0.00 O ATOM 1621 CB GLN A 105 0.222 -8.017 2.894 1.00 0.00 C ATOM 1622 CG GLN A 105 1.159 -7.686 1.730 1.00 0.00 C ATOM 1623 CD GLN A 105 0.957 -6.275 1.184 1.00 0.00 C ATOM 1624 OE1 GLN A 105 0.989 -5.282 1.896 1.00 0.00 O ATOM 1625 NE2 GLN A 105 0.685 -6.134 -0.093 1.00 0.00 N ATOM 0 H GLN A 105 -2.404 -9.360 3.343 1.00 0.00 H new ATOM 0 HA GLN A 105 -1.460 -6.708 2.608 1.00 0.00 H new ATOM 0 HB2 GLN A 105 0.516 -7.418 3.756 1.00 0.00 H new ATOM 0 HB3 GLN A 105 0.366 -9.062 3.168 1.00 0.00 H new ATOM 0 HG2 GLN A 105 2.192 -7.798 2.059 1.00 0.00 H new ATOM 0 HG3 GLN A 105 1.001 -8.406 0.927 1.00 0.00 H new ATOM 0 HE21 GLN A 105 0.654 -6.952 -0.701 1.00 0.00 H new ATOM 0 HE22 GLN A 105 0.504 -5.206 -0.477 1.00 0.00 H new ATOM 1634 N GLY A 106 -2.098 -7.499 0.318 1.00 0.00 N ATOM 1635 CA GLY A 106 -2.495 -7.888 -1.044 1.00 0.00 C ATOM 1636 C GLY A 106 -3.847 -7.325 -1.489 1.00 0.00 C ATOM 1637 O GLY A 106 -4.018 -7.011 -2.667 1.00 0.00 O ATOM 0 H GLY A 106 -2.128 -6.491 0.469 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -1.728 -7.555 -1.743 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -2.530 -8.976 -1.103 1.00 0.00 H new ATOM 1641 N ASN A 107 -4.784 -7.156 -0.550 1.00 0.00 N ATOM 1642 CA ASN A 107 -6.104 -6.555 -0.793 1.00 0.00 C ATOM 1643 C ASN A 107 -6.107 -5.015 -0.688 1.00 0.00 C ATOM 1644 O ASN A 107 -6.977 -4.363 -1.263 1.00 0.00 O ATOM 1645 CB ASN A 107 -7.124 -7.147 0.202 1.00 0.00 C ATOM 1646 CG ASN A 107 -7.659 -8.515 -0.191 1.00 0.00 C ATOM 1647 OD1 ASN A 107 -7.194 -9.178 -1.106 1.00 0.00 O ATOM 1648 ND2 ASN A 107 -8.684 -8.977 0.489 1.00 0.00 N ATOM 0 H ASN A 107 -4.645 -7.438 0.420 1.00 0.00 H new ATOM 0 HA ASN A 107 -6.378 -6.795 -1.820 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -6.656 -7.221 1.184 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -7.962 -6.456 0.300 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -9.086 -9.884 0.252 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -9.077 -8.429 1.254 1.00 0.00 H new ATOM 1655 N GLU A 108 -5.152 -4.428 0.040 1.00 0.00 N ATOM 1656 CA GLU A 108 -5.140 -3.010 0.432 1.00 0.00 C ATOM 1657 C GLU A 108 -3.877 -2.283 -0.058 1.00 0.00 C ATOM 1658 O GLU A 108 -2.762 -2.807 0.024 1.00 0.00 O ATOM 1659 CB GLU A 108 -5.248 -2.892 1.965 1.00 0.00 C ATOM 1660 CG GLU A 108 -6.551 -3.450 2.565 1.00 0.00 C ATOM 1661 CD GLU A 108 -7.826 -2.743 2.056 1.00 0.00 C ATOM 1662 OE1 GLU A 108 -7.809 -1.506 1.840 1.00 0.00 O ATOM 1663 OE2 GLU A 108 -8.871 -3.420 1.901 1.00 0.00 O ATOM 0 H GLU A 108 -4.340 -4.940 0.385 1.00 0.00 H new ATOM 0 HA GLU A 108 -5.998 -2.532 -0.041 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -4.404 -3.414 2.416 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -5.158 -1.842 2.242 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -6.620 -4.513 2.334 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -6.507 -3.362 3.651 1.00 0.00 H new ATOM 1670 N MET A 109 -4.057 -1.055 -0.552 1.00 0.00 N ATOM 1671 CA MET A 109 -2.984 -0.111 -0.888 1.00 0.00 C ATOM 1672 C MET A 109 -2.504 0.667 0.350 1.00 0.00 C ATOM 1673 O MET A 109 -3.263 0.866 1.305 1.00 0.00 O ATOM 1674 CB MET A 109 -3.517 0.821 -1.993 1.00 0.00 C ATOM 1675 CG MET A 109 -2.684 2.049 -2.369 1.00 0.00 C ATOM 1676 SD MET A 109 -2.852 3.487 -1.274 1.00 0.00 S ATOM 1677 CE MET A 109 -3.107 4.760 -2.528 1.00 0.00 C ATOM 0 H MET A 109 -4.986 -0.676 -0.736 1.00 0.00 H new ATOM 0 HA MET A 109 -2.107 -0.647 -1.250 1.00 0.00 H new ATOM 0 HB2 MET A 109 -3.655 0.224 -2.894 1.00 0.00 H new ATOM 0 HB3 MET A 109 -4.504 1.169 -1.687 1.00 0.00 H new ATOM 0 HG2 MET A 109 -1.634 1.757 -2.395 1.00 0.00 H new ATOM 0 HG3 MET A 109 -2.956 2.353 -3.380 1.00 0.00 H new ATOM 0 HE1 MET A 109 -2.950 5.744 -2.085 1.00 0.00 H new ATOM 0 HE2 MET A 109 -2.401 4.613 -3.345 1.00 0.00 H new ATOM 0 HE3 MET A 109 -4.125 4.694 -2.912 1.00 0.00 H new ATOM 1687 N ARG A 110 -1.254 1.147 0.314 1.00 0.00 N ATOM 1688 CA ARG A 110 -0.686 2.119 1.268 1.00 0.00 C ATOM 1689 C ARG A 110 0.411 2.968 0.619 1.00 0.00 C ATOM 1690 O ARG A 110 1.056 2.520 -0.329 1.00 0.00 O ATOM 1691 CB ARG A 110 -0.153 1.369 2.508 1.00 0.00 C ATOM 1692 CG ARG A 110 1.087 0.509 2.204 1.00 0.00 C ATOM 1693 CD ARG A 110 1.446 -0.429 3.365 1.00 0.00 C ATOM 1694 NE ARG A 110 2.780 -1.038 3.182 1.00 0.00 N ATOM 1695 CZ ARG A 110 3.159 -1.899 2.252 1.00 0.00 C ATOM 1696 NH1 ARG A 110 2.347 -2.429 1.391 1.00 0.00 N ATOM 1697 NH2 ARG A 110 4.400 -2.265 2.131 1.00 0.00 N ATOM 0 H ARG A 110 -0.585 0.863 -0.402 1.00 0.00 H new ATOM 0 HA ARG A 110 -1.473 2.806 1.579 1.00 0.00 H new ATOM 0 HB2 ARG A 110 0.095 2.093 3.285 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -0.942 0.731 2.907 1.00 0.00 H new ATOM 0 HG2 ARG A 110 0.905 -0.081 1.306 1.00 0.00 H new ATOM 0 HG3 ARG A 110 1.935 1.160 1.991 1.00 0.00 H new ATOM 0 HD2 ARG A 110 1.425 0.127 4.302 1.00 0.00 H new ATOM 0 HD3 ARG A 110 0.695 -1.215 3.444 1.00 0.00 H new ATOM 0 HE ARG A 110 3.495 -0.761 3.854 1.00 0.00 H new ATOM 0 HH11 ARG A 110 1.356 -2.187 1.408 1.00 0.00 H new ATOM 0 HH12 ARG A 110 2.699 -3.088 0.696 1.00 0.00 H new ATOM 0 HH21 ARG A 110 5.107 -1.887 2.761 1.00 0.00 H new ATOM 0 HH22 ARG A 110 4.667 -2.931 1.406 1.00 0.00 H new ATOM 1711 N LEU A 111 0.686 4.155 1.162 1.00 0.00 N ATOM 1712 CA LEU A 111 1.920 4.893 0.858 1.00 0.00 C ATOM 1713 C LEU A 111 3.154 4.168 1.428 1.00 0.00 C ATOM 1714 O LEU A 111 3.090 3.565 2.501 1.00 0.00 O ATOM 1715 CB LEU A 111 1.815 6.365 1.309 1.00 0.00 C ATOM 1716 CG LEU A 111 1.994 6.683 2.810 1.00 0.00 C ATOM 1717 CD1 LEU A 111 1.955 8.200 3.003 1.00 0.00 C ATOM 1718 CD2 LEU A 111 0.908 6.073 3.699 1.00 0.00 C ATOM 0 H LEU A 111 0.068 4.631 1.819 1.00 0.00 H new ATOM 0 HA LEU A 111 2.053 4.916 -0.224 1.00 0.00 H new ATOM 0 HB2 LEU A 111 2.561 6.937 0.756 1.00 0.00 H new ATOM 0 HB3 LEU A 111 0.837 6.738 1.004 1.00 0.00 H new ATOM 0 HG LEU A 111 2.949 6.249 3.107 1.00 0.00 H new ATOM 0 HD11 LEU A 111 2.081 8.436 4.060 1.00 0.00 H new ATOM 0 HD12 LEU A 111 2.760 8.660 2.430 1.00 0.00 H new ATOM 0 HD13 LEU A 111 0.996 8.586 2.656 1.00 0.00 H new ATOM 0 HD21 LEU A 111 1.098 6.338 4.739 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -0.067 6.458 3.399 1.00 0.00 H new ATOM 0 HD23 LEU A 111 0.918 4.988 3.593 1.00 0.00 H new ATOM 1730 N LEU A 112 4.278 4.239 0.711 1.00 0.00 N ATOM 1731 CA LEU A 112 5.542 3.579 1.057 1.00 0.00 C ATOM 1732 C LEU A 112 6.568 4.592 1.586 1.00 0.00 C ATOM 1733 O LEU A 112 7.079 4.430 2.696 1.00 0.00 O ATOM 1734 CB LEU A 112 6.063 2.783 -0.162 1.00 0.00 C ATOM 1735 CG LEU A 112 5.838 1.260 -0.076 1.00 0.00 C ATOM 1736 CD1 LEU A 112 4.397 0.876 0.260 1.00 0.00 C ATOM 1737 CD2 LEU A 112 6.209 0.619 -1.413 1.00 0.00 C ATOM 0 H LEU A 112 4.337 4.775 -0.155 1.00 0.00 H new ATOM 0 HA LEU A 112 5.371 2.870 1.867 1.00 0.00 H new ATOM 0 HB2 LEU A 112 5.575 3.159 -1.061 1.00 0.00 H new ATOM 0 HB3 LEU A 112 7.130 2.974 -0.275 1.00 0.00 H new ATOM 0 HG LEU A 112 6.470 0.898 0.735 1.00 0.00 H new ATOM 0 HD11 LEU A 112 4.311 -0.210 0.304 1.00 0.00 H new ATOM 0 HD12 LEU A 112 4.123 1.302 1.225 1.00 0.00 H new ATOM 0 HD13 LEU A 112 3.729 1.262 -0.510 1.00 0.00 H new ATOM 0 HD21 LEU A 112 6.051 -0.458 -1.356 1.00 0.00 H new ATOM 0 HD22 LEU A 112 5.584 1.036 -2.202 1.00 0.00 H new ATOM 0 HD23 LEU A 112 7.257 0.821 -1.635 1.00 0.00 H new ATOM 1749 N SER A 113 6.861 5.641 0.810 1.00 0.00 N ATOM 1750 CA SER A 113 7.731 6.765 1.193 1.00 0.00 C ATOM 1751 C SER A 113 7.509 7.981 0.278 1.00 0.00 C ATOM 1752 O SER A 113 6.853 7.862 -0.757 1.00 0.00 O ATOM 1753 CB SER A 113 9.203 6.328 1.122 1.00 0.00 C ATOM 1754 OG SER A 113 10.018 7.203 1.885 1.00 0.00 O ATOM 0 H SER A 113 6.488 5.737 -0.134 1.00 0.00 H new ATOM 0 HA SER A 113 7.480 7.056 2.213 1.00 0.00 H new ATOM 0 HB2 SER A 113 9.304 5.309 1.495 1.00 0.00 H new ATOM 0 HB3 SER A 113 9.537 6.322 0.085 1.00 0.00 H new ATOM 0 HG SER A 113 10.952 6.911 1.831 1.00 0.00 H new ATOM 1760 N LEU A 114 8.085 9.138 0.614 1.00 0.00 N ATOM 1761 CA LEU A 114 8.137 10.341 -0.232 1.00 0.00 C ATOM 1762 C LEU A 114 9.584 10.863 -0.332 1.00 0.00 C ATOM 1763 O LEU A 114 10.433 10.548 0.504 1.00 0.00 O ATOM 1764 CB LEU A 114 7.205 11.464 0.287 1.00 0.00 C ATOM 1765 CG LEU A 114 5.881 11.082 0.988 1.00 0.00 C ATOM 1766 CD1 LEU A 114 5.281 12.321 1.655 1.00 0.00 C ATOM 1767 CD2 LEU A 114 4.813 10.529 0.045 1.00 0.00 C ATOM 0 H LEU A 114 8.546 9.271 1.514 1.00 0.00 H new ATOM 0 HA LEU A 114 7.784 10.053 -1.222 1.00 0.00 H new ATOM 0 HB2 LEU A 114 7.781 12.073 0.984 1.00 0.00 H new ATOM 0 HB3 LEU A 114 6.955 12.101 -0.561 1.00 0.00 H new ATOM 0 HG LEU A 114 6.145 10.301 1.701 1.00 0.00 H new ATOM 0 HD11 LEU A 114 4.347 12.052 2.149 1.00 0.00 H new ATOM 0 HD12 LEU A 114 5.982 12.713 2.392 1.00 0.00 H new ATOM 0 HD13 LEU A 114 5.085 13.082 0.900 1.00 0.00 H new ATOM 0 HD21 LEU A 114 3.916 10.285 0.614 1.00 0.00 H new ATOM 0 HD22 LEU A 114 4.572 11.277 -0.710 1.00 0.00 H new ATOM 0 HD23 LEU A 114 5.189 9.629 -0.443 1.00 0.00 H new ATOM 1779 N GLU A 115 9.859 11.717 -1.318 1.00 0.00 N ATOM 1780 CA GLU A 115 11.146 12.394 -1.528 1.00 0.00 C ATOM 1781 C GLU A 115 10.941 13.873 -1.883 1.00 0.00 C ATOM 1782 O GLU A 115 9.957 14.239 -2.529 1.00 0.00 O ATOM 1783 CB GLU A 115 11.933 11.707 -2.660 1.00 0.00 C ATOM 1784 CG GLU A 115 12.363 10.257 -2.380 1.00 0.00 C ATOM 1785 CD GLU A 115 13.388 10.099 -1.231 1.00 0.00 C ATOM 1786 OE1 GLU A 115 13.999 11.099 -0.777 1.00 0.00 O ATOM 1787 OE2 GLU A 115 13.628 8.944 -0.798 1.00 0.00 O ATOM 0 H GLU A 115 9.166 11.969 -2.022 1.00 0.00 H new ATOM 0 HA GLU A 115 11.710 12.330 -0.597 1.00 0.00 H new ATOM 0 HB2 GLU A 115 11.322 11.719 -3.563 1.00 0.00 H new ATOM 0 HB3 GLU A 115 12.824 12.298 -2.870 1.00 0.00 H new ATOM 0 HG2 GLU A 115 11.477 9.669 -2.142 1.00 0.00 H new ATOM 0 HG3 GLU A 115 12.790 9.836 -3.290 1.00 0.00 H new ATOM 1794 N MET A 116 11.903 14.722 -1.514 1.00 0.00 N ATOM 1795 CA MET A 116 11.942 16.166 -1.790 1.00 0.00 C ATOM 1796 C MET A 116 13.288 16.578 -2.405 1.00 0.00 C ATOM 1797 O MET A 116 14.325 15.972 -2.121 1.00 0.00 O ATOM 1798 CB MET A 116 11.705 16.948 -0.486 1.00 0.00 C ATOM 1799 CG MET A 116 10.327 16.688 0.128 1.00 0.00 C ATOM 1800 SD MET A 116 10.072 17.535 1.707 1.00 0.00 S ATOM 1801 CE MET A 116 8.376 17.009 2.044 1.00 0.00 C ATOM 0 H MET A 116 12.719 14.408 -0.988 1.00 0.00 H new ATOM 0 HA MET A 116 11.155 16.398 -2.508 1.00 0.00 H new ATOM 0 HB2 MET A 116 12.475 16.679 0.237 1.00 0.00 H new ATOM 0 HB3 MET A 116 11.813 18.014 -0.684 1.00 0.00 H new ATOM 0 HG2 MET A 116 9.558 17.007 -0.575 1.00 0.00 H new ATOM 0 HG3 MET A 116 10.199 15.615 0.275 1.00 0.00 H new ATOM 0 HE1 MET A 116 7.981 17.573 2.889 1.00 0.00 H new ATOM 0 HE2 MET A 116 7.757 17.191 1.165 1.00 0.00 H new ATOM 0 HE3 MET A 116 8.365 15.945 2.282 1.00 0.00 H new ATOM 1811 N LEU A 117 13.284 17.641 -3.216 1.00 0.00 N ATOM 1812 CA LEU A 117 14.441 18.217 -3.886 1.00 0.00 C ATOM 1813 C LEU A 117 14.817 19.542 -3.194 1.00 0.00 C ATOM 1814 O LEU A 117 14.014 20.476 -3.148 1.00 0.00 O ATOM 1815 CB LEU A 117 14.055 18.360 -5.373 1.00 0.00 C ATOM 1816 CG LEU A 117 14.945 19.310 -6.175 1.00 0.00 C ATOM 1817 CD1 LEU A 117 16.411 18.865 -6.222 1.00 0.00 C ATOM 1818 CD2 LEU A 117 14.442 19.430 -7.613 1.00 0.00 C ATOM 0 H LEU A 117 12.424 18.146 -3.430 1.00 0.00 H new ATOM 0 HA LEU A 117 15.335 17.596 -3.825 1.00 0.00 H new ATOM 0 HB2 LEU A 117 14.086 17.375 -5.839 1.00 0.00 H new ATOM 0 HB3 LEU A 117 13.025 18.710 -5.435 1.00 0.00 H new ATOM 0 HG LEU A 117 14.893 20.269 -5.660 1.00 0.00 H new ATOM 0 HD11 LEU A 117 16.990 19.581 -6.806 1.00 0.00 H new ATOM 0 HD12 LEU A 117 16.809 18.817 -5.209 1.00 0.00 H new ATOM 0 HD13 LEU A 117 16.478 17.881 -6.685 1.00 0.00 H new ATOM 0 HD21 LEU A 117 15.088 20.110 -8.169 1.00 0.00 H new ATOM 0 HD22 LEU A 117 14.456 18.448 -8.086 1.00 0.00 H new ATOM 0 HD23 LEU A 117 13.423 19.817 -7.611 1.00 0.00 H new